6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine

C24H22ClFN8 — CID 90100094

IUPAC6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESFc1ccc(Cl)nc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C24H22ClFN8/c25-19-4-3-17(26)23(31-19)32-20-11-15(5-6-29-20)22-30-18-13-28-12-16(14-1-2-14)21(18)24(33-22)34-9-7-27-8-10-34/h3-6,11-14,27H,1-2,7-10H2,(H,29,31,32)
InChIKeyGOMKDEZXRHJZLW-UHFFFAOYSA-N
MW476.95 g/mol
LogP4.30
Rot. Bonds5

About 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine

6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine (PubChem CID 90100094) has the molecular formula C24H22ClFN8 and a molecular weight of 476.95 g/mol. Its IUPAC name is 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine
PubChem CID90100094
Molecular FormulaC24H22ClFN8
Molecular Weight476.95 g/mol
Exact Mass476.16
IUPAC Name6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine
SMILESFc1ccc(Cl)nc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C24H22ClFN8/c25-19-4-3-17(26)23(31-19)32-20-11-15(5-6-29-20)22-30-18-13-28-12-16(14-1-2-14)21(18)24(33-22)34-9-7-27-8-10-34/h3-6,11-14,27H,1-2,7-10H2,(H,29,31,32)
InChIKeyGOMKDEZXRHJZLW-UHFFFAOYSA-N
XLogP4.30
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-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 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine (CID 90100094) is 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine is Fc1ccc(Cl)nc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine?
The InChIKey is GOMKDEZXRHJZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN8/c25-19-4-3-17(26)23(31-19)32-20-11-15(5-6-29-20)22-30-18-13-28-12-16(14-1-2-14)21(18)24(33-22)34-9-7-27-8-10-34/h3-6,11-14,27H,1-2,7-10H2,(H,29,31,32).
What are the key properties of 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine?
6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine has a molecular weight of 476.95 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 90100094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).