N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C32H41N5O3 — CID 135329987

IUPACN-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C
InChIInChI=1S/C32H41N5O3/c1-21-30(40-2)14-13-29(35-21)23-5-3-22(4-6-23)19-36(32(39)24-7-11-28(38)12-8-24)31-17-25(15-16-33-31)26-18-34-37(20-26)27-9-10-27/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3
InChIKeyGDECHQDNZFGMDQ-UHFFFAOYSA-N
MW543.71 g/mol
LogP5.85
Rot. Bonds8

About N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 135329987) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID135329987
Molecular FormulaC32H41N5O3
Molecular Weight543.71 g/mol
Exact Mass543.32
IUPAC NameN-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C
InChIInChI=1S/C32H41N5O3/c1-21-30(40-2)14-13-29(35-21)23-5-3-22(4-6-23)19-36(32(39)24-7-11-28(38)12-8-24)31-17-25(15-16-33-31)26-18-34-37(20-26)27-9-10-27/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3
InChIKeyGDECHQDNZFGMDQ-UHFFFAOYSA-N
XLogP5.85
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 135329987) is N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C.
What is the InChIKey of N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is GDECHQDNZFGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-21-30(40-2)14-13-29(35-21)23-5-3-22(4-6-23)19-36(32(39)24-7-11-28(38)12-8-24)31-17-25(15-16-33-31)26-18-34-37(20-26)27-9-10-27/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3.
What are the key properties of N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 543.71 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).