4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

C27H34N4O — CID 142430471

IUPAC4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C
InChIInChI=1S/C27H34N4O/c1-18-12-22(8-11-26(18)32-3)21-6-4-20(5-7-21)15-28-27-14-23(13-19(2)30-27)24-16-29-31(17-24)25-9-10-25/h8,11-14,16-17,20-21,25H,4-7,9-10,15H2,1-3H3,(H,28,30)
InChIKeyAOHAXLSBQUOXHC-UHFFFAOYSA-N
MW430.60 g/mol
LogP6.29
Rot. Bonds7

About 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (PubChem CID 142430471) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
PubChem CID142430471
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C
InChIInChI=1S/C27H34N4O/c1-18-12-22(8-11-26(18)32-3)21-6-4-20(5-7-21)15-28-27-14-23(13-19(2)30-27)24-16-29-31(17-24)25-9-10-25/h8,11-14,16-17,20-21,25H,4-7,9-10,15H2,1-3H3,(H,28,30)
InChIKeyAOHAXLSBQUOXHC-UHFFFAOYSA-N
XLogP6.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (CID 142430471) is 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine is COc1ccc(C2CCC(CNc3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C.
What is the InChIKey of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The InChIKey is AOHAXLSBQUOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-18-12-22(8-11-26(18)32-3)21-6-4-20(5-7-21)15-28-27-14-23(13-19(2)30-27)24-16-29-31(17-24)25-9-10-25/h8,11-14,16-17,20-21,25H,4-7,9-10,15H2,1-3H3,(H,28,30).
What are the key properties of 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine has a molecular weight of 430.60 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 142430471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).