(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

C24H22N6O3 — CID 169231868

IUPAC(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)[C@]12COC[C@H]1C2
InChIInChI=1S/C24H22N6O3/c1-30-10-16(19(29-30)14-6-4-3-5-7-14)20-21-17(25-13-26-20)8-18(32-2)22(27-21)28-23(31)24-9-15(24)11-33-12-24/h3-8,10,13,15H,9,11-12H2,1-2H3,(H,27,28,31)/t15-,24-/m1/s1
InChIKeyFBSUZUZJRGMJMP-OYLFLEFRSA-N
MW442.48 g/mol
LogP3.08
Rot. Bonds5

About (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 169231868) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID169231868
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)[C@]12COC[C@H]1C2
InChIInChI=1S/C24H22N6O3/c1-30-10-16(19(29-30)14-6-4-3-5-7-14)20-21-17(25-13-26-20)8-18(32-2)22(27-21)28-23(31)24-9-15(24)11-33-12-24/h3-8,10,13,15H,9,11-12H2,1-2H3,(H,27,28,31)/t15-,24-/m1/s1
InChIKeyFBSUZUZJRGMJMP-OYLFLEFRSA-N
XLogP3.08
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (CID 169231868) is (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)[C@]12COC[C@H]1C2.
What is the InChIKey of (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is FBSUZUZJRGMJMP-OYLFLEFRSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-30-10-16(19(29-30)14-6-4-3-5-7-14)20-21-17(25-13-26-20)8-18(32-2)22(27-21)28-23(31)24-9-15(24)11-33-12-24/h3-8,10,13,15H,9,11-12H2,1-2H3,(H,27,28,31)/t15-,24-/m1/s1.
What are the key properties of (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 169231868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).