5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

C26H23FN8 — CID 90099219

IUPAC5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESFc1cccnc1-c1cc2c(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccnc2[nH]1
InChIInChI=1S/C26H23FN8/c27-19-2-1-6-30-23(19)20-12-17-16(5-7-31-24(17)32-20)25-33-21-14-29-13-18(15-3-4-15)22(21)26(34-25)35-10-8-28-9-11-35/h1-2,5-7,12-15,28H,3-4,8-11H2,(H,31,32)
InChIKeyYBTWAVZTOUDVDZ-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.06
Rot. Bonds4

About 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 90099219) has the molecular formula C26H23FN8 and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID90099219
Molecular FormulaC26H23FN8
Molecular Weight466.52 g/mol
Exact Mass466.20
IUPAC Name5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESFc1cccnc1-c1cc2c(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccnc2[nH]1
InChIInChI=1S/C26H23FN8/c27-19-2-1-6-30-23(19)20-12-17-16(5-7-31-24(17)32-20)25-33-21-14-29-13-18(15-3-4-15)22(21)26(34-25)35-10-8-28-9-11-35/h1-2,5-7,12-15,28H,3-4,8-11H2,(H,31,32)
InChIKeyYBTWAVZTOUDVDZ-UHFFFAOYSA-N
XLogP4.06
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (CID 90099219) is 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is Fc1cccnc1-c1cc2c(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccnc2[nH]1.
What is the InChIKey of 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is YBTWAVZTOUDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8/c27-19-2-1-6-30-23(19)20-12-17-16(5-7-31-24(17)32-20)25-33-21-14-29-13-18(15-3-4-15)22(21)26(34-25)35-10-8-28-9-11-35/h1-2,5-7,12-15,28H,3-4,8-11H2,(H,31,32).
What are the key properties of 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 466.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(3-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90099219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).