2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide

C25H21N7O2S — CID 169231817

IUPAC2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C25H21N7O2S/c1-32-12-16(20(31-32)14-6-4-3-5-7-14)21-22-17(27-13-28-21)10-18(34-2)23(29-22)30-24(33)19-11-26-25(35-19)15-8-9-15/h3-7,10-13,15H,8-9H2,1-2H3,(H,29,30,33)
InChIKeySJLKJEPKOZOSTO-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.69
Rot. Bonds6

About 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide (PubChem CID 169231817) has the molecular formula C25H21N7O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide
PubChem CID169231817
Molecular FormulaC25H21N7O2S
Molecular Weight483.56 g/mol
Exact Mass483.15
IUPAC Name2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cnc(C2CC2)s1
InChIInChI=1S/C25H21N7O2S/c1-32-12-16(20(31-32)14-6-4-3-5-7-14)21-22-17(27-13-28-21)10-18(34-2)23(29-22)30-24(33)19-11-26-25(35-19)15-8-9-15/h3-7,10-13,15H,8-9H2,1-2H3,(H,29,30,33)
InChIKeySJLKJEPKOZOSTO-UHFFFAOYSA-N
XLogP4.69
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide (CID 169231817) is 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is SJLKJEPKOZOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2S/c1-32-12-16(20(31-32)14-6-4-3-5-7-14)21-22-17(27-13-28-21)10-18(34-2)23(29-22)30-24(33)19-11-26-25(35-19)15-8-9-15/h3-7,10-13,15H,8-9H2,1-2H3,(H,29,30,33).
What are the key properties of 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 169231817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).