[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone

C21H19FN6O — CID 124964173

IUPAC[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ccn1
InChIInChI=1S/C21H19FN6O/c22-15-2-1-13-7-18(26-17(13)9-15)21(29)28-6-4-14(11-28)20-16(10-25-27-20)12-3-5-24-19(23)8-12/h1-3,5,7-10,14,26H,4,6,11H2,(H2,23,24)(H,25,27)/t14-/m1/s1
InChIKeyHVOZORKIBYBBLG-CQSZACIVSA-N
MW390.42 g/mol
LogP3.30
Rot. Bonds3

About [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone

[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone (PubChem CID 124964173) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
PubChem CID124964173
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
SMILESNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ccn1
InChIInChI=1S/C21H19FN6O/c22-15-2-1-13-7-18(26-17(13)9-15)21(29)28-6-4-14(11-28)20-16(10-25-27-20)12-3-5-24-19(23)8-12/h1-3,5,7-10,14,26H,4,6,11H2,(H2,23,24)(H,25,27)/t14-/m1/s1
InChIKeyHVOZORKIBYBBLG-CQSZACIVSA-N
XLogP3.30
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 124962428
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
1H-indol-2-yl-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213633
1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213634
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166323550
(6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110261484
1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 95816762
6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone (CID 124964173) is [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone is Nc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)ccn1.
What is the InChIKey of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone?
The InChIKey is HVOZORKIBYBBLG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-15-2-1-13-7-18(26-17(13)9-15)21(29)28-6-4-14(11-28)20-16(10-25-27-20)12-3-5-24-19(23)8-12/h1-3,5,7-10,14,26H,4,6,11H2,(H2,23,24)(H,25,27)/t14-/m1/s1.
What are the key properties of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone?
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone has a molecular weight of 390.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 124964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).