2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C27H27N7O2 — CID 153439205

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCN(C(=O)Nc4cccc(-c5ccccc5)c4)C3)c2)cn1
InChIInChI=1S/C27H27N7O2/c1-33-16-21(15-30-33)20-13-24(25(28)29-14-20)26(35)31-23-10-11-34(17-23)27(36)32-22-9-5-8-19(12-22)18-6-3-2-4-7-18/h2-9,12-16,23H,10-11,17H2,1H3,(H2,28,29)(H,31,35)(H,32,36)
InChIKeyIFNHSEPHADQWKG-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.77
Rot. Bonds5

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 153439205) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID153439205
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCN(C(=O)Nc4cccc(-c5ccccc5)c4)C3)c2)cn1
InChIInChI=1S/C27H27N7O2/c1-33-16-21(15-30-33)20-13-24(25(28)29-14-20)26(35)31-23-10-11-34(17-23)27(36)32-22-9-5-8-19(12-22)18-6-3-2-4-7-18/h2-9,12-16,23H,10-11,17H2,1H3,(H2,28,29)(H,31,35)(H,32,36)
InChIKeyIFNHSEPHADQWKG-UHFFFAOYSA-N
XLogP3.77
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(3R)-1-[[3-(4-aminophenyl)phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325437
2-amino-N-[(3R)-1-[[3-[4-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325445
2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326172
2-amino-N-[(3R)-1-[[4-[3-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326117
2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325598
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-phenyl-2-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 139580464
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325798
2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326268
2-amino-N-[(3R)-1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326150
(3-bromophenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325421

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 153439205) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NC3CCN(C(=O)Nc4cccc(-c5ccccc5)c4)C3)c2)cn1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is IFNHSEPHADQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-33-16-21(15-30-33)20-13-24(25(28)29-14-20)26(35)31-23-10-11-34(17-23)27(36)32-22-9-5-8-19(12-22)18-6-3-2-4-7-18/h2-9,12-16,23H,10-11,17H2,1H3,(H2,28,29)(H,31,35)(H,32,36).
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153439205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).