N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

C53H54N8O6 — CID 157233256

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O
InChIInChI=1S/C27H28N4O3.C26H26N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32;31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33);1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t23-,24-;22-,23-/m00/s1
InChIKeyAUIPQKQYDKHUIB-PBVAJPJXSA-N
MW899.07 g/mol
LogP7.80
Rot. Bonds11

About N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (PubChem CID 157233256) has the molecular formula C53H54N8O6 and a molecular weight of 899.07 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
PubChem CID157233256
Molecular FormulaC53H54N8O6
Molecular Weight899.07 g/mol
Exact Mass898.42
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O
InChIInChI=1S/C27H28N4O3.C26H26N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32;31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33);1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t23-,24-;22-,23-/m00/s1
InChIKeyAUIPQKQYDKHUIB-PBVAJPJXSA-N
XLogP7.80
TPSA189.54 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.07
LogP ≤ 57.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1-methyl-1H-pyrazol-4-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 54589421
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 71281209
US11008304, Example 77
CID 146225353
US11008304, Example 80
CID 148009625
US11008304, Example 76
CID 153263790
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-isoquinolin-3-ylpiperazin-1-yl)methyl]-1-methoxynaphthalene-2-carboxamide
CID 76314630
US11345699, Example 92
CID 146604130
US11345699, Example 97
CID 146604143
US11008304, Example 74
CID 146940141
8-fluoro-3-[(1S,2S)-2-hydroxycyclopentyl]-7-methyl-6-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2H-1,3-benzoxazin-4-one
CID 124155579
8-fluoro-3-[(3S,4S)-4-hydroxyoxan-3-yl]-7-methyl-6-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2H-1,3-benzoxazin-4-one
CID 124155719
1-Hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 54755718

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (CID 157233256) is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The InChIKey is AUIPQKQYDKHUIB-PBVAJPJXSA-N. The full InChI is InChI=1S/C27H28N4O3.C26H26N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32;31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33);1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t23-,24-;22-,23-/m00/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide has a molecular weight of 899.07 g/mol, XLogP of 7.80, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide;1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 157233256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).