5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C26H25F2N7 — CID 90098813

IUPAC5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(F)c1Nc1cc(-c2nc(NC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C26H25F2N7/c27-19-2-1-3-20(28)24(19)34-22-12-16(6-11-31-22)25-33-21-14-30-13-18(15-4-5-15)23(21)26(35-25)32-17-7-9-29-10-8-17/h1-3,6,11-15,17,29H,4-5,7-10H2,(H,31,34)(H,32,33,35)
InChIKeyPFTNLYCPGBBZQN-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.15
Rot. Bonds6

About 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 90098813) has the molecular formula C26H25F2N7 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID90098813
Molecular FormulaC26H25F2N7
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESFc1cccc(F)c1Nc1cc(-c2nc(NC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C26H25F2N7/c27-19-2-1-3-20(28)24(19)34-22-12-16(6-11-31-22)25-33-21-14-30-13-18(15-4-5-15)23(21)26(35-25)32-17-7-9-29-10-8-17/h1-3,6,11-15,17,29H,4-5,7-10H2,(H,31,34)(H,32,33,35)
InChIKeyPFTNLYCPGBBZQN-UHFFFAOYSA-N
XLogP5.15
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine 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-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 90098813) is 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is Fc1cccc(F)c1Nc1cc(-c2nc(NC3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PFTNLYCPGBBZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7/c27-19-2-1-3-20(28)24(19)34-22-12-16(6-11-31-22)25-33-21-14-30-13-18(15-4-5-15)23(21)26(35-25)32-17-7-9-29-10-8-17/h1-3,6,11-15,17,29H,4-5,7-10H2,(H,31,34)(H,32,33,35).
What are the key properties of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 473.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90098813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).