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

C28H24ClF3N10 — CID 90098686

IUPACN-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(-n2cc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CC6)cncc5n4)ccn3)c(Cl)n2)nc1
InChIInChI=1S/C28H24ClF3N10/c29-25-21(15-42(40-25)23-4-3-18(12-36-23)28(30,31)32)37-22-11-17(5-6-35-22)26-38-20-14-34-13-19(16-1-2-16)24(20)27(39-26)41-9-7-33-8-10-41/h3-6,11-16,33H,1-2,7-10H2,(H,35,37)
InChIKeyZBLQBXNPBDAXPN-UHFFFAOYSA-N
MW593.02 g/mol
LogP5.37
Rot. Bonds6

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

N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine (PubChem CID 90098686) has the molecular formula C28H24ClF3N10 and a molecular weight of 593.02 g/mol. Its IUPAC name is N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
PubChem CID90098686
Molecular FormulaC28H24ClF3N10
Molecular Weight593.02 g/mol
Exact Mass592.18
IUPAC NameN-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(-n2cc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CC6)cncc5n4)ccn3)c(Cl)n2)nc1
InChIInChI=1S/C28H24ClF3N10/c29-25-21(15-42(40-25)23-4-3-18(12-36-23)28(30,31)32)37-22-11-17(5-6-35-22)26-38-20-14-34-13-19(16-1-2-16)24(20)27(39-26)41-9-7-33-8-10-41/h3-6,11-16,33H,1-2,7-10H2,(H,35,37)
InChIKeyZBLQBXNPBDAXPN-UHFFFAOYSA-N
XLogP5.37
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.02
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The IUPAC name of N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine (CID 90098686) is N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine is FC(F)(F)c1ccc(-n2cc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CC6)cncc5n4)ccn3)c(Cl)n2)nc1.
What is the InChIKey of N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
The InChIKey is ZBLQBXNPBDAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N10/c29-25-21(15-42(40-25)23-4-3-18(12-36-23)28(30,31)32)37-22-11-17(5-6-35-22)26-38-20-14-34-13-19(16-1-2-16)24(20)27(39-26)41-9-7-33-8-10-41/h3-6,11-16,33H,1-2,7-10H2,(H,35,37).
What are the key properties of N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine?
N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine has a molecular weight of 593.02 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 90098686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).