(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone

C19H23N5O — CID 110235100

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc2[nH]c(C3CCCN(C(=O)c4cn(C)nc4C)C3)cc2c1
InChIInChI=1S/C19H23N5O/c1-12-7-15-8-17(21-18(15)20-9-12)14-5-4-6-24(10-14)19(25)16-11-23(3)22-13(16)2/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyAODQQRNUFUGEFE-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.93
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 110235100) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID110235100
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc2[nH]c(C3CCCN(C(=O)c4cn(C)nc4C)C3)cc2c1
InChIInChI=1S/C19H23N5O/c1-12-7-15-8-17(21-18(15)20-9-12)14-5-4-6-24(10-14)19(25)16-11-23(3)22-13(16)2/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyAODQQRNUFUGEFE-UHFFFAOYSA-N
XLogP2.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 92633358
(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252635
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110245568
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 110235100) is (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is Cc1cnc2[nH]c(C3CCCN(C(=O)c4cn(C)nc4C)C3)cc2c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is AODQQRNUFUGEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-7-15-8-17(21-18(15)20-9-12)14-5-4-6-24(10-14)19(25)16-11-23(3)22-13(16)2/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,21).
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110235100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).