(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide

C28H24N6O2 — CID 168723628

IUPAC(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
SMILESC[C@@]1(C#N)COCc2ncc(C(=O)NCc3cc4nc(-c5cccc(C6CC6)c5)ccc4nn3)cc21
InChIInChI=1S/C28H24N6O2/c1-28(15-29)16-36-14-26-22(28)10-20(12-30-26)27(35)31-13-21-11-25-24(34-33-21)8-7-23(32-25)19-4-2-3-18(9-19)17-5-6-17/h2-4,7-12,17H,5-6,13-14,16H2,1H3,(H,31,35)/t28-/m1/s1
InChIKeyGCCFKELSTIRKGY-MUUNZHRXSA-N
MW476.54 g/mol
LogP4.21
Rot. Bonds5

About (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide

(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide (PubChem CID 168723628) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
PubChem CID168723628
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide
SMILESC[C@@]1(C#N)COCc2ncc(C(=O)NCc3cc4nc(-c5cccc(C6CC6)c5)ccc4nn3)cc21
InChIInChI=1S/C28H24N6O2/c1-28(15-29)16-36-14-26-22(28)10-20(12-30-26)27(35)31-13-21-11-25-24(34-33-21)8-7-23(32-25)19-4-2-3-18(9-19)17-5-6-17/h2-4,7-12,17H,5-6,13-14,16H2,1H3,(H,31,35)/t28-/m1/s1
InChIKeyGCCFKELSTIRKGY-MUUNZHRXSA-N
XLogP4.21
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide (CID 168723628) is (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide is C[C@@]1(C#N)COCc2ncc(C(=O)NCc3cc4nc(-c5cccc(C6CC6)c5)ccc4nn3)cc21.
What is the InChIKey of (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
The InChIKey is GCCFKELSTIRKGY-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-28(15-29)16-36-14-26-22(28)10-20(12-30-26)27(35)31-13-21-11-25-24(34-33-21)8-7-23(32-25)19-4-2-3-18(9-19)17-5-6-17/h2-4,7-12,17H,5-6,13-14,16H2,1H3,(H,31,35)/t28-/m1/s1.
What are the key properties of (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide?
(5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyano-N-[[6-(3-cyclopropylphenyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-5-methyl-6,8-dihydropyrano[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 168723628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).