1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide

C30H34N10O2 — CID 155329791

IUPAC1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-c3cn(C)nn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1
InChIInChI=1S/C30H34N10O2/c1-18-14-26(38-36-18)34-25-15-21-6-5-13-31-27(21)28(35-25)20-9-11-30(42-4,12-10-20)29(41)33-19(2)22-7-8-23(32-16-22)24-17-40(3)39-37-24/h5-8,13-17,19-20H,9-12H2,1-4H3,(H,33,41)(H2,34,35,36,38)/t19-,20?,30?/m0/s1
InChIKeyLCPNMMCQFHBNCN-BVSSOPRRSA-N
MW566.67 g/mol
LogP4.52
Rot. Bonds8

About 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide

1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 155329791) has the molecular formula C30H34N10O2 and a molecular weight of 566.67 g/mol. Its IUPAC name is 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide
PubChem CID155329791
Molecular FormulaC30H34N10O2
Molecular Weight566.67 g/mol
Exact Mass566.29
IUPAC Name1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-c3cn(C)nn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1
InChIInChI=1S/C30H34N10O2/c1-18-14-26(38-36-18)34-25-15-21-6-5-13-31-27(21)28(35-25)20-9-11-30(42-4,12-10-20)29(41)33-19(2)22-7-8-23(32-16-22)24-17-40(3)39-37-24/h5-8,13-17,19-20H,9-12H2,1-4H3,(H,33,41)(H2,34,35,36,38)/t19-,20?,30?/m0/s1
InChIKeyLCPNMMCQFHBNCN-BVSSOPRRSA-N
XLogP4.52
TPSA148.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.67
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide (CID 155329791) is 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide is COC1(C(=O)N[C@@H](C)c2ccc(-c3cn(C)nn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3cccnc23)CC1.
What is the InChIKey of 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is LCPNMMCQFHBNCN-BVSSOPRRSA-N. The full InChI is InChI=1S/C30H34N10O2/c1-18-14-26(38-36-18)34-25-15-21-6-5-13-31-27(21)28(35-25)20-9-11-30(42-4,12-10-20)29(41)33-19(2)22-7-8-23(32-16-22)24-17-40(3)39-37-24/h5-8,13-17,19-20H,9-12H2,1-4H3,(H,33,41)(H2,34,35,36,38)/t19-,20?,30?/m0/s1.
What are the key properties of 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide?
1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 566.67 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-8-yl]-N-[(1S)-1-[6-(1-methyltriazol-4-yl)-3-pyridinyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155329791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).