7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine

C27H29F2N7O — CID 176991840

About 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine

7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine (PubChem CID 176991840) has the molecular formula C27H29F2N7O and a molecular weight of 505.57 g/mol. Its IUPAC name is 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine
• PubChem CID: 176991840
• Molecular Formula: C27H29F2N7O
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.24
• IUPAC Name: 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine
• SMILES: Cc1cc2[nH]ncc2c(-c2ncc3c(N4CCC=C(F)C4)nc(OCC4CCCN4C)nc3c2F)c1C
• InChI: InChI=1S/C27H29F2N7O/c1-15-10-21-19(12-31-34-21)22(16(15)2)25-23(29)24-20(11-30-25)26(36-9-4-6-17(28)13-36)33-27(32-24)37-14-18-7-5-8-35(18)3/h6,10-12,18H,4-5,7-9,13-14H2,1-3H3,(H,31,34)
• InChIKey: SEZWYYYTZCUEBI-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 83.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine?

The IUPAC name of 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine (CID 176991840) is 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine?

The canonical SMILES for 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine is Cc1cc2[nH]ncc2c(-c2ncc3c(N4CCC=C(F)C4)nc(OCC4CCCN4C)nc3c2F)c1C.

What is the InChIKey of 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine?

The InChIKey is SEZWYYYTZCUEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O/c1-15-10-21-19(12-31-34-21)22(16(15)2)25-23(29)24-20(11-30-25)26(36-9-4-6-17(28)13-36)33-27(32-24)37-14-18-7-5-8-35(18)3/h6,10-12,18H,4-5,7-9,13-14H2,1-3H3,(H,31,34).

What are the key properties of 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine?

7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine has a molecular weight of 505.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 176991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).