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N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide

C33H39N5O3 — CID 135329929

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)nc1C#N
InChIInChI=1S/C33H39N5O3/c1-41-32-16-15-30(36-31(32)18-34)23-7-5-22(6-8-23)20-37(33(40)24-9-13-29(39)14-10-24)28-4-2-3-25(17-28)26-19-35-38(21-26)27-11-12-27/h2-4,15-17,19,21-24,27,29,39H,5-14,20H2,1H3
InChIKeyWPPYBSRIIUESIL-UHFFFAOYSA-N
MW553.71 g/mol
LogP6.02
Rot. Bonds8

About N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide

N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 135329929) has the molecular formula C33H39N5O3 and a molecular weight of 553.71 g/mol. Its IUPAC name is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID135329929
Molecular FormulaC33H39N5O3
Molecular Weight553.71 g/mol
Exact Mass553.31
IUPAC NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)nc1C#N
InChIInChI=1S/C33H39N5O3/c1-41-32-16-15-30(36-31(32)18-34)23-7-5-22(6-8-23)20-37(33(40)24-9-13-29(39)14-10-24)28-4-2-3-25(17-28)26-19-35-38(21-26)27-11-12-27/h2-4,15-17,19,21-24,27,29,39H,5-14,20H2,1H3
InChIKeyWPPYBSRIIUESIL-UHFFFAOYSA-N
XLogP6.02
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide (CID 135329929) is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C5CC5)c4)c3)CC2)nc1C#N.
What is the InChIKey of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is WPPYBSRIIUESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O3/c1-41-32-16-15-30(36-31(32)18-34)23-7-5-22(6-8-23)20-37(33(40)24-9-13-29(39)14-10-24)28-4-2-3-25(17-28)26-19-35-38(21-26)27-11-12-27/h2-4,15-17,19,21-24,27,29,39H,5-14,20H2,1H3.
What are the key properties of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide?
N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 553.71 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 135329929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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