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

C25H23F3N8 — CID 90098752

IUPACN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)cn1
InChIInChI=1S/C25H23F3N8/c26-25(27,28)20-4-3-17(12-32-20)33-21-11-16(5-6-31-21)23-34-19-14-30-13-18(15-1-2-15)22(19)24(35-23)36-9-7-29-8-10-36/h3-6,11-15,29H,1-2,7-10H2,(H,31,33)
InChIKeyXEYBZNMJDBVFEL-UHFFFAOYSA-N
MW492.51 g/mol
LogP4.53
Rot. Bonds5

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

N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 90098752) has the molecular formula C25H23F3N8 and a molecular weight of 492.51 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID90098752
Molecular FormulaC25H23F3N8
Molecular Weight492.51 g/mol
Exact Mass492.20
IUPAC NameN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)cn1
InChIInChI=1S/C25H23F3N8/c26-25(27,28)20-4-3-17(12-32-20)33-21-11-16(5-6-31-21)23-34-19-14-30-13-18(15-1-2-15)22(19)24(35-23)36-9-7-29-8-10-36/h3-6,11-15,29H,1-2,7-10H2,(H,31,33)
InChIKeyXEYBZNMJDBVFEL-UHFFFAOYSA-N
XLogP4.53
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine (CID 90098752) is N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)cn1.
What is the InChIKey of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is XEYBZNMJDBVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8/c26-25(27,28)20-4-3-17(12-32-20)33-21-11-16(5-6-31-21)23-34-19-14-30-13-18(15-1-2-15)22(19)24(35-23)36-9-7-29-8-10-36/h3-6,11-15,29H,1-2,7-10H2,(H,31,33).
What are the key properties of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 492.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 90098752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).