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

C57H72N10O4 — CID 163742817

IUPAC4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[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.COc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C
InChIInChI=1S/C32H41N5O3.C25H31N5O/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;1-17-24(31-2)10-9-23(29-17)19-5-3-18(4-6-19)14-27-25-13-20(11-12-26-25)21-15-28-30(16-21)22-7-8-22/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3;9-13,15-16,18-19,22H,3-8,14H2,1-2H3,(H,26,27)
InChIKeyLJGJVXGEQIDWMK-UHFFFAOYSA-N
MW961.27 g/mol
LogP11.23
Rot. Bonds15

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

4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 163742817) has the molecular formula C57H72N10O4 and a molecular weight of 961.27 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 Name4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID163742817
Molecular FormulaC57H72N10O4
Molecular Weight961.27 g/mol
Exact Mass960.57
IUPAC Name4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[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.COc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C
InChIInChI=1S/C32H41N5O3.C25H31N5O/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;1-17-24(31-2)10-9-23(29-17)19-5-3-18(4-6-19)14-27-25-13-20(11-12-26-25)21-15-28-30(16-21)22-7-8-22/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3;9-13,15-16,18-19,22H,3-8,14H2,1-2H3,(H,26,27)
InChIKeyLJGJVXGEQIDWMK-UHFFFAOYSA-N
XLogP11.23
TPSA158.23 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.27
LogP ≤ 511.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 163742817) is 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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.COc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C.
What is the InChIKey of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 LJGJVXGEQIDWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3.C25H31N5O/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;1-17-24(31-2)10-9-23(29-17)19-5-3-18(4-6-19)14-27-25-13-20(11-12-26-25)21-15-28-30(16-21)22-7-8-22/h13-18,20,22-24,27-28,38H,3-12,19H2,1-2H3;9-13,15-16,18-19,22H,3-8,14H2,1-2H3,(H,26,27).
What are the key properties of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 961.27 g/mol, XLogP of 11.23, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]pyridin-2-amine;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 163742817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).