N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C38H47N11O4 — CID 143759115

IUPACN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O2.C19H25N5O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-26-9-8-24(12-15-2-3-15)18-10-17(21-13-22-18)19(25)23-16-6-4-14(11-20)5-7-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-7,10,13,15H,2-3,8-9,11-12,20H2,1H3,(H,23,25)
InChIKeyNDVRZPLOHATSRK-UHFFFAOYSA-N
MW721.87 g/mol
LogP4.52
Rot. Bonds17

About N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 143759115) has the molecular formula C38H47N11O4 and a molecular weight of 721.87 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID143759115
Molecular FormulaC38H47N11O4
Molecular Weight721.87 g/mol
Exact Mass721.38
IUPAC NameN-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCOCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C19H22N6O2.C19H25N5O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-26-9-8-24(12-15-2-3-15)18-10-17(21-13-22-18)19(25)23-16-6-4-14(11-20)5-7-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-7,10,13,15H,2-3,8-9,11-12,20H2,1H3,(H,23,25)
InChIKeyNDVRZPLOHATSRK-UHFFFAOYSA-N
XLogP4.52
TPSA189.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.87
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

Sch772984
CID 24866313
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182901
(3S)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 70997213
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28c
CID 5329251
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137641846
6-(cyclohexylamino)-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182765
6-[cyclohexyl(methyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182770
6-(cyclohexyl(methyl)amino)-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182774
6-((cyclopropylmethyl)(propyl)amino)-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182899
6-(dipropylamino)-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182910
6-((cyclopropylmethyl)(propyl)amino)-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182915
4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1Hpyrazol-4-yl]-N-[2-(4-morpholinyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 46236622

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 143759115) is N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is COCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is NDVRZPLOHATSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.C19H25N5O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-26-9-8-24(12-15-2-3-15)18-10-17(21-13-22-18)19(25)23-16-6-4-14(11-20)5-7-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-7,10,13,15H,2-3,8-9,11-12,20H2,1H3,(H,23,25).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 721.87 g/mol, XLogP of 4.52, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143759115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).