N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide

C27H26F2N6O2 — CID 156818673

IUPACN-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESCC1COCc2ccc(C(=O)NCc3cc4nc(N5CCn6ncc(C(F)F)c6C5)ccc4cn3)cc21
InChIInChI=1S/C27H26F2N6O2/c1-16-14-37-15-19-3-2-17(8-21(16)19)27(36)31-11-20-9-23-18(10-30-20)4-5-25(33-23)34-6-7-35-24(13-34)22(12-32-35)26(28)29/h2-5,8-10,12,16,26H,6-7,11,13-15H2,1H3,(H,31,36)
InChIKeySOBGWJQYJDPESR-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.35
Rot. Bonds5

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

N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide (PubChem CID 156818673) has the molecular formula C27H26F2N6O2 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide.

Molecular Properties

Compound NameN-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
PubChem CID156818673
Molecular FormulaC27H26F2N6O2
Molecular Weight504.54 g/mol
Exact Mass504.21
IUPAC NameN-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESCC1COCc2ccc(C(=O)NCc3cc4nc(N5CCn6ncc(C(F)F)c6C5)ccc4cn3)cc21
InChIInChI=1S/C27H26F2N6O2/c1-16-14-37-15-19-3-2-17(8-21(16)19)27(36)31-11-20-9-23-18(10-30-20)4-5-25(33-23)34-6-7-35-24(13-34)22(12-32-35)26(28)29/h2-5,8-10,12,16,26H,6-7,11,13-15H2,1H3,(H,31,36)
InChIKeySOBGWJQYJDPESR-UHFFFAOYSA-N
XLogP4.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[2-[4-[[4-[5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 127041836
US9718828, Example, 385
CID 71226223
US10246456, Example 50
CID 118664470
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 132057274
US11186582, Example 296
CID 118471091
US11186582, Example 297
CID 118471321
N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 132056515
N-[6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 132057109
US11247990, Example 28
CID 138715166
2-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-6-quinolyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 124179893
2-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]-6-quinolyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 129908355
CBP/p300-IN-14
CID 163198545

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The IUPAC name of N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide (CID 156818673) is N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide.
What is the SMILES notation for N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The canonical SMILES for N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide is CC1COCc2ccc(C(=O)NCc3cc4nc(N5CCn6ncc(C(F)F)c6C5)ccc4cn3)cc21.
What is the InChIKey of N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide?
The InChIKey is SOBGWJQYJDPESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O2/c1-16-14-37-15-19-3-2-17(8-21(16)19)27(36)31-11-20-9-23-18(10-30-20)4-5-25(33-23)34-6-7-35-24(13-34)22(12-32-35)26(28)29/h2-5,8-10,12,16,26H,6-7,11,13-15H2,1H3,(H,31,36).
What are the key properties of N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide?
N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(difluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3,4-dihydro-1H-isochromene-6-carboxamide is sourced from PubChem (CID 156818673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).