6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine

C25H23F4N7 — CID 146611716

IUPAC6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nc(F)nc(-c4cnn(C5CCNCC5)c4)c3n2)c1
InChIInChI=1S/C25H23F4N7/c26-15-1-2-19(28)18(9-15)21-10-16(27)13-35(21)22-4-3-20-24(33-22)23(34-25(29)32-20)14-11-31-36(12-14)17-5-7-30-8-6-17/h1-4,9,11-12,16-17,21,30H,5-8,10,13H2/t16-,21+/m0/s1
InChIKeyJAAFTAGHSIWRGI-HRAATJIYSA-N
MW497.50 g/mol
LogP4.52
Rot. Bonds4

About 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine

6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine (PubChem CID 146611716) has the molecular formula C25H23F4N7 and a molecular weight of 497.50 g/mol. Its IUPAC name is 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine
PubChem CID146611716
Molecular FormulaC25H23F4N7
Molecular Weight497.50 g/mol
Exact Mass497.20
IUPAC Name6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine
SMILESFc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nc(F)nc(-c4cnn(C5CCNCC5)c4)c3n2)c1
InChIInChI=1S/C25H23F4N7/c26-15-1-2-19(28)18(9-15)21-10-16(27)13-35(21)22-4-3-20-24(33-22)23(34-25(29)32-20)14-11-31-36(12-14)17-5-7-30-8-6-17/h1-4,9,11-12,16-17,21,30H,5-8,10,13H2/t16-,21+/m0/s1
InChIKeyJAAFTAGHSIWRGI-HRAATJIYSA-N
XLogP4.52
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine (CID 146611716) is 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine is Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nc(F)nc(-c4cnn(C5CCNCC5)c4)c3n2)c1.
What is the InChIKey of 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine?
The InChIKey is JAAFTAGHSIWRGI-HRAATJIYSA-N. The full InChI is InChI=1S/C25H23F4N7/c26-15-1-2-19(28)18(9-15)21-10-16(27)13-35(21)22-4-3-20-24(33-22)23(34-25(29)32-20)14-11-31-36(12-14)17-5-7-30-8-6-17/h1-4,9,11-12,16-17,21,30H,5-8,10,13H2/t16-,21+/m0/s1.
What are the key properties of 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine?
6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine has a molecular weight of 497.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-fluoro-4-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 146611716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).