[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone

C17H19N5O — CID 167949475

IUPAC[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone
SMILESCn1nccc1C1CCN(C(=O)c2nccc3[nH]ccc23)CC1
InChIInChI=1S/C17H19N5O/c1-21-15(4-9-20-21)12-5-10-22(11-6-12)17(23)16-13-2-7-18-14(13)3-8-19-16/h2-4,7-9,12,18H,5-6,10-11H2,1H3
InChIKeyKKNGAEHKNVSUNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds2

About [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone

[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone (PubChem CID 167949475) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone
PubChem CID167949475
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone
SMILESCn1nccc1C1CCN(C(=O)c2nccc3[nH]ccc23)CC1
InChIInChI=1S/C17H19N5O/c1-21-15(4-9-20-21)12-5-10-22(11-6-12)17(23)16-13-2-7-18-14(13)3-8-19-16/h2-4,7-9,12,18H,5-6,10-11H2,1H3
InChIKeyKKNGAEHKNVSUNR-UHFFFAOYSA-N
XLogP2.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
Factor D inhibitor 6
CID 68283608
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone?
The IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone (CID 167949475) is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone?
The canonical SMILES for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone is Cn1nccc1C1CCN(C(=O)c2nccc3[nH]ccc23)CC1.
What is the InChIKey of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone?
The InChIKey is KKNGAEHKNVSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-15(4-9-20-21)12-5-10-22(11-6-12)17(23)16-13-2-7-18-14(13)3-8-19-16/h2-4,7-9,12,18H,5-6,10-11H2,1H3.
What are the key properties of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone?
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone is sourced from PubChem (CID 167949475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).