1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C16H21N5O — CID 151827766

IUPAC1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)CCc1cn[nH]c1)C2
InChIInChI=1S/C16H21N5O/c1-10-11(2)20-16(17-3)14-9-21(8-13(10)14)15(22)5-4-12-6-18-19-7-12/h6-7H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySDZQJMCXLDSQML-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.94
Rot. Bonds4

About 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 151827766) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID151827766
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCNc1nc(C)c(C)c2c1CN(C(=O)CCc1cn[nH]c1)C2
InChIInChI=1S/C16H21N5O/c1-10-11(2)20-16(17-3)14-9-21(8-13(10)14)15(22)5-4-12-6-18-19-7-12/h6-7H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySDZQJMCXLDSQML-UHFFFAOYSA-N
XLogP1.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-pyridin-3-ylcyclopropyl)ethanone
CID 158087881
1-(4-heptylpiperazin-1-yl)-3-(1H-pyrazol-4-yl)propan-1-one
CID 131933931
1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915
1-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134702337
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone;fluorobenzene
CID 164552891
1-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434333
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434334
2-oxo-4-(1H-pyrazol-4-yl)butanoic acid
CID 82413459
1-[4-(dimethylamino)azepan-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56908749
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-[3-(trifluoromethoxy)azetidin-1-yl]methanone
CID 164552880
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 151827766) is 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one is CNc1nc(C)c(C)c2c1CN(C(=O)CCc1cn[nH]c1)C2.
What is the InChIKey of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is SDZQJMCXLDSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-11(2)20-16(17-3)14-9-21(8-13(10)14)15(22)5-4-12-6-18-19-7-12/h6-7H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 299.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dimethyl-4-(methylamino)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 151827766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).