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

C25H26N8 — CID 90099357

IUPACN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C25H26N8/c1-16-20(3-2-7-28-16)30-22-13-18(6-8-29-22)24-31-21-15-27-14-19(17-4-5-17)23(21)25(32-24)33-11-9-26-10-12-33/h2-3,6-8,13-15,17,26H,4-5,9-12H2,1H3,(H,29,30)
InChIKeyWMRZPROWGRWZPK-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.82
Rot. Bonds5

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

N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine (PubChem CID 90099357) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
PubChem CID90099357
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC NameN-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C25H26N8/c1-16-20(3-2-7-28-16)30-22-13-18(6-8-29-22)24-31-21-15-27-14-19(17-4-5-17)23(21)25(32-24)33-11-9-26-10-12-33/h2-3,6-8,13-15,17,26H,4-5,9-12H2,1H3,(H,29,30)
InChIKeyWMRZPROWGRWZPK-UHFFFAOYSA-N
XLogP3.82
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.82
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]-2-methylpyridin-3-amine?
The IUPAC name of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine (CID 90099357) is N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine is Cc1ncccc1Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine?
The InChIKey is WMRZPROWGRWZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-16-20(3-2-7-28-16)30-22-13-18(6-8-29-22)24-31-21-15-27-14-19(17-4-5-17)23(21)25(32-24)33-11-9-26-10-12-33/h2-3,6-8,13-15,17,26H,4-5,9-12H2,1H3,(H,29,30).
What are the key properties of N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine?
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine has a molecular weight of 438.54 g/mol, XLogP of 3.82, 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]-2-methylpyridin-3-amine is sourced from PubChem (CID 90099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).