7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one

C29H32FN9O2 — CID 170338485

IUPAC7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
SMILESCn1c(-c2cc3ccnc(OCCn4ccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O
InChIInChI=1S/C29H32FN9O2/c1-36-26-23(13-21-22(34-26)5-8-38(29(21)40)16-20(31)14-30)35-27(36)24-12-19-4-6-33-28(25(19)39(24)15-18-2-3-18)41-11-10-37-9-7-32-17-37/h4,6-7,9,12-13,17-18,20H,2-3,5,8,10-11,14-16,31H2,1H3/t20-/m1/s1
InChIKeyKGASJTZJKUTRKA-HXUWFJFHSA-N
MW557.63 g/mol
LogP2.97
Rot. Bonds10

About 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one

7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one (PubChem CID 170338485) has the molecular formula C29H32FN9O2 and a molecular weight of 557.63 g/mol. Its IUPAC name is 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
PubChem CID170338485
Molecular FormulaC29H32FN9O2
Molecular Weight557.63 g/mol
Exact Mass557.27
IUPAC Name7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
SMILESCn1c(-c2cc3ccnc(OCCn4ccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O
InChIInChI=1S/C29H32FN9O2/c1-36-26-23(13-21-22(34-26)5-8-38(29(21)40)16-20(31)14-30)35-27(36)24-12-19-4-6-33-28(25(19)39(24)15-18-2-3-18)41-11-10-37-9-7-32-17-37/h4,6-7,9,12-13,17-18,20H,2-3,5,8,10-11,14-16,31H2,1H3/t20-/m1/s1
InChIKeyKGASJTZJKUTRKA-HXUWFJFHSA-N
XLogP2.97
TPSA121.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.63
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one with MolForge

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Related Compounds

MK-3328
CID 44555286
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 134144954
5-Fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 71459372
MK-3328 F-18
CID 53243932
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
CID 134132166
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,5-a]pyridin-8-ylmethanone
CID 134150303
3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
CID 118463589
7-[[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156304118
3-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166493397
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166494633
5-[7-[[5-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138571716

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?
The IUPAC name of 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one (CID 170338485) is 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one.
What is the SMILES notation for 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?
The canonical SMILES for 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one is Cn1c(-c2cc3ccnc(OCCn4ccnc4)c3n2CC2CC2)nc2cc3c(nc21)CCN(C[C@H](N)CF)C3=O.
What is the InChIKey of 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?
The InChIKey is KGASJTZJKUTRKA-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H32FN9O2/c1-36-26-23(13-21-22(34-26)5-8-38(29(21)40)16-20(31)14-30)35-27(36)24-12-19-4-6-33-28(25(19)39(24)15-18-2-3-18)41-11-10-37-9-7-32-17-37/h4,6-7,9,12-13,17-18,20H,2-3,5,8,10-11,14-16,31H2,1H3/t20-/m1/s1.
What are the key properties of 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one?
7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one has a molecular weight of 557.63 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-(2-imidazol-1-ylethoxy)pyrrolo[2,3-c]pyridin-2-yl]-3-methyl-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one is sourced from PubChem (CID 170338485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).