5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile

C23H27N7O2 — CID 90644107

IUPAC5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2n1
InChIInChI=1S/C23H27N7O2/c1-16-18(12-24)11-17(13-25-16)14-26-19-5-7-29(8-6-19)9-10-30-22(31)15-27-20-3-4-21(32-2)28-23(20)30/h3-4,11,13,15,19,26H,5-10,14H2,1-2H3
InChIKeyIIJVDKDQMHKCMR-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.63
Rot. Bonds7

About 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile

5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile (PubChem CID 90644107) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
PubChem CID90644107
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2n1
InChIInChI=1S/C23H27N7O2/c1-16-18(12-24)11-17(13-25-16)14-26-19-5-7-29(8-6-19)9-10-30-22(31)15-27-20-3-4-21(32-2)28-23(20)30/h3-4,11,13,15,19,26H,5-10,14H2,1-2H3
InChIKeyIIJVDKDQMHKCMR-UHFFFAOYSA-N
XLogP1.63
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one;dihydrochloride
CID 68995440
6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 126601072
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 44528580
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
(E)-but-2-enedioic acid;5-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-3-methoxypyrido[2,3-b]pyrazin-6-one
CID 25032631
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
CID 68809502
1-[2-[4-[(4-chloro-3-nitrophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 130210982
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 67538574
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile (CID 90644107) is 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile is COc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2n1.
What is the InChIKey of 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is IIJVDKDQMHKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-16-18(12-24)11-17(13-25-16)14-26-19-5-7-29(8-6-19)9-10-30-22(31)15-27-20-3-4-21(32-2)28-23(20)30/h3-4,11,13,15,19,26H,5-10,14H2,1-2H3.
What are the key properties of 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile?
5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 433.52 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 90644107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).