N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile

C28H29N7O2 — CID 156819302

IUPACN-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile
SMILESC#N.CC1(C)COCc2ccc(C(=O)NCc3cc4nc(N5CCn6nccc6C5)ccc4cn3)cc21
InChIInChI=1S/C27H28N6O2.CHN/c1-27(2)17-35-16-20-4-3-18(11-23(20)27)26(34)29-14-21-12-24-19(13-28-21)5-6-25(31-24)32-9-10-33-22(15-32)7-8-30-33;1-2/h3-8,11-13H,9-10,14-17H2,1-2H3,(H,29,34);1H
InChIKeyQCKUCGQQHPPZIY-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.72
Rot. Bonds4

About N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile

N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile (PubChem CID 156819302) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile
PubChem CID156819302
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC NameN-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile
SMILESC#N.CC1(C)COCc2ccc(C(=O)NCc3cc4nc(N5CCn6nccc6C5)ccc4cn3)cc21
InChIInChI=1S/C27H28N6O2.CHN/c1-27(2)17-35-16-20-4-3-18(11-23(20)27)26(34)29-14-21-12-24-19(13-28-21)5-6-25(31-24)32-9-10-33-22(15-32)7-8-30-33;1-2/h3-8,11-13H,9-10,14-17H2,1-2H3,(H,29,34);1H
InChIKeyQCKUCGQQHPPZIY-UHFFFAOYSA-N
XLogP3.72
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile with MolForge

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Related Compounds

2-Tert-butyl-1'-[1-(methylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968003
2-Tert-butyl-1'-[1-(ethylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968055
(3R)-6-[(7R,9aR)-2-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-7-yl]-3-methyl-3,4-dihydroisochromen-1-one
CID 89633299
2-Tert-butyl-1'-[1-(propylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928578
2-Tert-butyl-1'-[1-(2-methoxyethylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928579
2-Tert-butyl-1'-[3-(methylamino)isoquinoline-6-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937987
2-Tert-butyl-1'-[1-(methylamino)isoquinoline-6-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937997
2-Tert-butyl-1'-[3-(methylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91938001
N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 132056739
US11247989, Example 92
CID 132186511
US11186582, Example 296
CID 118471091
US11186582, Example 297
CID 118471321

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile?
The IUPAC name of N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile (CID 156819302) is N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile.
What is the SMILES notation for N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile?
The canonical SMILES for N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile is C#N.CC1(C)COCc2ccc(C(=O)NCc3cc4nc(N5CCn6nccc6C5)ccc4cn3)cc21.
What is the InChIKey of N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile?
The InChIKey is QCKUCGQQHPPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.CHN/c1-27(2)17-35-16-20-4-3-18(11-23(20)27)26(34)29-14-21-12-24-19(13-28-21)5-6-25(31-24)32-9-10-33-22(15-32)7-8-30-33;1-2/h3-8,11-13H,9-10,14-17H2,1-2H3,(H,29,34);1H.
What are the key properties of N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile?
N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile has a molecular weight of 495.59 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,6-naphthyridin-7-yl]methyl]-4,4-dimethyl-1,3-dihydroisochromene-6-carboxamide;formonitrile is sourced from PubChem (CID 156819302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).