6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide

C45H53N11O2 — CID 143759099

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H27N5O.C22H26N6O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17;29-22(26-18-7-4-8-19-17(18)12-25-27-19)20-11-21(24-14-23-20)28(13-15-9-10-15)16-5-2-1-3-6-16/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29);4,7-8,11-12,14-16H,1-3,5-6,9-10,13H2,(H,25,27)(H,26,29)
InChIKeyINLDAPQKSAJSDR-UHFFFAOYSA-N
MW779.99 g/mol
LogP8.91
Rot. Bonds12

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide (PubChem CID 143759099) has the molecular formula C45H53N11O2 and a molecular weight of 779.99 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
PubChem CID143759099
Molecular FormulaC45H53N11O2
Molecular Weight779.99 g/mol
Exact Mass779.44
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H27N5O.C22H26N6O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17;29-22(26-18-7-4-8-19-17(18)12-25-27-19)20-11-21(24-14-23-20)28(13-15-9-10-15)16-5-2-1-3-6-16/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29);4,7-8,11-12,14-16H,1-3,5-6,9-10,13H2,(H,25,27)(H,26,29)
InChIKeyINLDAPQKSAJSDR-UHFFFAOYSA-N
XLogP8.91
TPSA160.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.99
LogP ≤ 58.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

Fn-1501
CID 72195175
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
N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-cyclopropyl-1H-pyrazole-5-carboxamide
CID 15949619
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-methyl-1-piperazinyl)ethyl]-1H-pyrrolo-[2,3-b]pyridine-2-carboxamide
CID 46236769

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide (CID 143759099) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is INLDAPQKSAJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C22H26N6O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17;29-22(26-18-7-4-8-19-17(18)12-25-27-19)20-11-21(24-14-23-20)28(13-15-9-10-15)16-5-2-1-3-6-16/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29);4,7-8,11-12,14-16H,1-3,5-6,9-10,13H2,(H,25,27)(H,26,29).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 779.99 g/mol, XLogP of 8.91, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143759099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).