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

C21H22FN7O2 — CID 142326172

IUPAC2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4cccc(F)c4)C3)c2)cn1
InChIInChI=1S/C21H22FN7O2/c1-28-11-14(10-25-28)13-7-18(19(23)24-9-13)20(30)26-17-5-6-29(12-17)21(31)27-16-4-2-3-15(22)8-16/h2-4,7-11,17H,5-6,12H2,1H3,(H2,23,24)(H,26,30)(H,27,31)/t17-/m1/s1
InChIKeyRGUPDZLNNITBBD-QGZVFWFLSA-N
MW423.45 g/mol
LogP2.24
Rot. Bonds4

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

2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142326172) has the molecular formula C21H22FN7O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID142326172
Molecular FormulaC21H22FN7O2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC Name2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4cccc(F)c4)C3)c2)cn1
InChIInChI=1S/C21H22FN7O2/c1-28-11-14(10-25-28)13-7-18(19(23)24-9-13)20(30)26-17-5-6-29(12-17)21(31)27-16-4-2-3-15(22)8-16/h2-4,7-11,17H,5-6,12H2,1H3,(H2,23,24)(H,26,30)(H,27,31)/t17-/m1/s1
InChIKeyRGUPDZLNNITBBD-QGZVFWFLSA-N
XLogP2.24
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 153439205
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-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325598
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-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
2-amino-N-[(3R)-1-[4-(2,4-difluorophenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580522
(3-bromophenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325421
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-[(3R)-1-[4-(4-fluoro-3-methylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325928
2-amino-N-[(3R)-1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326150
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-phenyl-2-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 139580464

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142326172) is 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4cccc(F)c4)C3)c2)cn1.
What is the InChIKey of 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is RGUPDZLNNITBBD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22FN7O2/c1-28-11-14(10-25-28)13-7-18(19(23)24-9-13)20(30)26-17-5-6-29(12-17)21(31)27-16-4-2-3-15(22)8-16/h2-4,7-11,17H,5-6,12H2,1H3,(H2,23,24)(H,26,30)(H,27,31)/t17-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142326172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).