(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C23H24N6O — CID 95834667

IUPAC(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)c2c1
InChIInChI=1S/C23H24N6O/c1-14-4-5-20-19(8-14)22(27-26-20)23(30)29-7-6-16(13-29)21-10-17(9-15(2)25-21)18-11-24-28(3)12-18/h4-5,8-12,16H,6-7,13H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyCUMCYNMLDJCGMP-MRXNPFEDSA-N
MW400.49 g/mol
LogP3.60
Rot. Bonds3

About (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95834667) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID95834667
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)c2c1
InChIInChI=1S/C23H24N6O/c1-14-4-5-20-19(8-14)22(27-26-20)23(30)29-7-6-16(13-29)21-10-17(9-15(2)25-21)18-11-24-28(3)12-18/h4-5,8-12,16H,6-7,13H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyCUMCYNMLDJCGMP-MRXNPFEDSA-N
XLogP3.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110264830
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-[(4-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
CID 127251575
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
[3-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 121279551
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95834667) is (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)c2c1.
What is the InChIKey of (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is CUMCYNMLDJCGMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-4-5-20-19(8-14)22(27-26-20)23(30)29-7-6-16(13-29)21-10-17(9-15(2)25-21)18-11-24-28(3)12-18/h4-5,8-12,16H,6-7,13H2,1-3H3,(H,26,27)/t16-/m1/s1.
What are the key properties of (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 400.49 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95834667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).