N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine

C41H48N10 — CID 138627093

IUPACN-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine
SMILESCCCc1cc(-n2cc(-c3ccc(NC(C)Cc4cc(-n5cc(-c6ncc(NCC7CC7)cc6C)cn5)cc(CCC)n4)c(C)n3)cn2)ccn1
InChIInChI=1S/C41H48N10/c1-6-8-33-18-37(14-15-42-33)50-25-31(22-45-50)40-13-12-39(29(5)48-40)47-28(4)17-35-20-38(19-34(49-35)9-7-2)51-26-32(23-46-51)41-27(3)16-36(24-44-41)43-21-30-10-11-30/h12-16,18-20,22-26,28,30,43,47H,6-11,17,21H2,1-5H3
InChIKeyFAIKMPKMCIEZEO-UHFFFAOYSA-N
MW680.91 g/mol
LogP8.36
Rot. Bonds15

About N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine

N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine (PubChem CID 138627093) has the molecular formula C41H48N10 and a molecular weight of 680.91 g/mol. Its IUPAC name is N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine
PubChem CID138627093
Molecular FormulaC41H48N10
Molecular Weight680.91 g/mol
Exact Mass680.41
IUPAC NameN-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine
SMILESCCCc1cc(-n2cc(-c3ccc(NC(C)Cc4cc(-n5cc(-c6ncc(NCC7CC7)cc6C)cn5)cc(CCC)n4)c(C)n3)cn2)ccn1
InChIInChI=1S/C41H48N10/c1-6-8-33-18-37(14-15-42-33)50-25-31(22-45-50)40-13-12-39(29(5)48-40)47-28(4)17-35-20-38(19-34(49-35)9-7-2)51-26-32(23-46-51)41-27(3)16-36(24-44-41)43-21-30-10-11-30/h12-16,18-20,22-26,28,30,43,47H,6-11,17,21H2,1-5H3
InChIKeyFAIKMPKMCIEZEO-UHFFFAOYSA-N
XLogP8.36
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.91
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine?
The IUPAC name of N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine (CID 138627093) is N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine?
The canonical SMILES for N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine is CCCc1cc(-n2cc(-c3ccc(NC(C)Cc4cc(-n5cc(-c6ncc(NCC7CC7)cc6C)cn5)cc(CCC)n4)c(C)n3)cn2)ccn1.
What is the InChIKey of N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine?
The InChIKey is FAIKMPKMCIEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N10/c1-6-8-33-18-37(14-15-42-33)50-25-31(22-45-50)40-13-12-39(29(5)48-40)47-28(4)17-35-20-38(19-34(49-35)9-7-2)51-26-32(23-46-51)41-27(3)16-36(24-44-41)43-21-30-10-11-30/h12-16,18-20,22-26,28,30,43,47H,6-11,17,21H2,1-5H3.
What are the key properties of N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine?
N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine has a molecular weight of 680.91 g/mol, XLogP of 8.36, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-[5-(cyclopropylmethylamino)-3-methyl-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]propan-2-yl]-2-methyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine is sourced from PubChem (CID 138627093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).