6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone

C83H100N18O6 — CID 159911621

IUPAC6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone
SMILESCC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C23H28N4O.C21H25N5O.C20H24N4O.C19H23N5O3/c1-16(2)14-27(19-5-3-4-6-19)23-13-21(25-15-26-23)22(28)12-17-7-8-20-18(11-17)9-10-24-20;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-3-9-24(10-4-2)20-13-18(22-14-23-20)19(25)12-15-5-6-17-16(11-15)7-8-21-17;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16/h7-11,13,15-16,19,24H,3-6,12,14H2,1-2H3;6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);5-8,11,13-14,21H,3-4,9-10,12H2,1-2H3;3-6,11-13,20H,7-10H2,1-2H3,(H,23,25)
InChIKeyNXGCICMTHXKQGK-UHFFFAOYSA-N
MW1445.83 g/mol
LogP15.25
Rot. Bonds31

About 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone

6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone (PubChem CID 159911621) has the molecular formula C83H100N18O6 and a molecular weight of 1445.83 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone
PubChem CID159911621
Molecular FormulaC83H100N18O6
Molecular Weight1445.83 g/mol
Exact Mass1444.81
IUPAC Name6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone
SMILESCC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C23H28N4O.C21H25N5O.C20H24N4O.C19H23N5O3/c1-16(2)14-27(19-5-3-4-6-19)23-13-21(25-15-26-23)22(28)12-17-7-8-20-18(11-17)9-10-24-20;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-3-9-24(10-4-2)20-13-18(22-14-23-20)19(25)12-15-5-6-17-16(11-15)7-8-21-17;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16/h7-11,13,15-16,19,24H,3-6,12,14H2,1-2H3;6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);5-8,11,13-14,21H,3-4,9-10,12H2,1-2H3;3-6,11-13,20H,7-10H2,1-2H3,(H,23,25)
InChIKeyNXGCICMTHXKQGK-UHFFFAOYSA-N
XLogP15.25
TPSA290.04 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001445.83
LogP ≤ 515.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone with MolForge

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Related Compounds

Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28d
CID 5329252
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28b
CID 5329250
N-(1,3-dimorpholin-4-ylpropan-2-yl)-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233706
6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-(pyridin-4-ylcarbamoyl)-2,3-dihydro-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 137387849
3-[6-[4-[2-[9-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-1-oxa-4,9-diazacycloundec-4-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155184454
3-[6-[9-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-1-oxa-4,9-diazacycloundec-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155184456
CID 157602215
CID 157602215
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157686479
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
CID 158029926
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
3-[[2-(cyclohexylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[2-(cyclopentylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;3-[[2-(cyclopropylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[2-(pyridin-4-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 158209909
2-cyclopentyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;(2,6-dimethylmorpholin-4-yl)-[6-(1H-indol-5-yl)-2-pyridinyl]methanone;[6-(1H-indol-5-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)ethanone;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 159304313

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone (CID 159911621) is 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone is CC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc3[nH]ccc3c2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone?
The InChIKey is NXGCICMTHXKQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C21H25N5O.C20H24N4O.C19H23N5O3/c1-16(2)14-27(19-5-3-4-6-19)23-13-21(25-15-26-23)22(28)12-17-7-8-20-18(11-17)9-10-24-20;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-3-9-24(10-4-2)20-13-18(22-14-23-20)19(25)12-15-5-6-17-16(11-15)7-8-21-17;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16/h7-11,13,15-16,19,24H,3-6,12,14H2,1-2H3;6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);5-8,11,13-14,21H,3-4,9-10,12H2,1-2H3;3-6,11-13,20H,7-10H2,1-2H3,(H,23,25).
What are the key properties of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone?
6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone has a molecular weight of 1445.83 g/mol, XLogP of 15.25, 31 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 159911621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).