[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H29N7O — CID 95100960

IUPAC[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc2cc(N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)cnc2nc1C
InChIInChI=1S/C24H29N7O/c1-17-18(2)28-23-21(27-17)14-20(15-26-23)31-9-5-6-19(16-31)24(32)30-12-10-29(11-13-30)22-7-3-4-8-25-22/h3-4,7-8,14-15,19H,5-6,9-13,16H2,1-2H3/t19-/m1/s1
InChIKeyVFUJFASUOVNJMA-LJQANCHMSA-N
MW431.54 g/mol
LogP2.60
Rot. Bonds3

About [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 95100960) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID95100960
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc2cc(N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)cnc2nc1C
InChIInChI=1S/C24H29N7O/c1-17-18(2)28-23-21(27-17)14-20(15-26-23)31-9-5-6-19(16-31)24(32)30-12-10-29(11-13-30)22-7-3-4-8-25-22/h3-4,7-8,14-15,19H,5-6,9-13,16H2,1-2H3/t19-/m1/s1
InChIKeyVFUJFASUOVNJMA-LJQANCHMSA-N
XLogP2.60
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53165999
(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
CID 95100890
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90519878
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 53165997
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20920541
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95100992
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
CID 53165981
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 95100960) is [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nc2cc(N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)cnc2nc1C.
What is the InChIKey of [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VFUJFASUOVNJMA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N7O/c1-17-18(2)28-23-21(27-17)14-20(15-26-23)31-9-5-6-19(16-31)24(32)30-12-10-29(11-13-30)22-7-3-4-8-25-22/h3-4,7-8,14-15,19H,5-6,9-13,16H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 431.54 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 95100960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).