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

C28H24N6O2 — CID 156818585

IUPACformonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESC#N.CC1COCc2ccc(C(=O)NCc3cc4nc(-c5ccn6nccc6c5)ccc4cn3)cc21
InChIInChI=1S/C27H23N5O2.CHN/c1-17-15-34-16-21-3-2-19(11-24(17)21)27(33)29-14-22-12-26-20(13-28-22)4-5-25(31-26)18-7-9-32-23(10-18)6-8-30-32;1-2/h2-13,17H,14-16H2,1H3,(H,29,33);1H
InChIKeySKWFHDVTZROXDP-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.65
Rot. Bonds4

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

formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide (PubChem CID 156818585) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide.

Molecular Properties

Compound Nameformonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide
PubChem CID156818585
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Nameformonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESC#N.CC1COCc2ccc(C(=O)NCc3cc4nc(-c5ccn6nccc6c5)ccc4cn3)cc21
InChIInChI=1S/C27H23N5O2.CHN/c1-17-15-34-16-21-3-2-19(11-24(17)21)27(33)29-14-22-12-26-20(13-28-22)4-5-25(31-26)18-7-9-32-23(10-18)6-8-30-32;1-2/h2-13,17H,14-16H2,1H3,(H,29,33);1H
InChIKeySKWFHDVTZROXDP-UHFFFAOYSA-N
XLogP4.65
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The IUPAC name of formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide (CID 156818585) is formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide.
What is the SMILES notation for formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The canonical SMILES for formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide is C#N.CC1COCc2ccc(C(=O)NCc3cc4nc(-c5ccn6nccc6c5)ccc4cn3)cc21.
What is the InChIKey of formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The InChIKey is SKWFHDVTZROXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2.CHN/c1-17-15-34-16-21-3-2-19(11-24(17)21)27(33)29-14-22-12-26-20(13-28-22)4-5-25(31-26)18-7-9-32-23(10-18)6-8-30-32;1-2/h2-13,17H,14-16H2,1H3,(H,29,33);1H.
What are the key properties of formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;4-methyl-N-[(2-pyrazolo[1,5-a]pyridin-5-yl-1,6-naphthyridin-7-yl)methyl]-3,4-dihydro-1H-isochromene-6-carboxamide is sourced from PubChem (CID 156818585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).