4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C25H30N10O — CID 86716729

IUPAC4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4cnn(C5CCNCC5)c4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C25H30N10O/c1-36-21-15-28-14-20-23(21)25(34-10-8-27-9-11-34)33-24(32-20)17-2-7-29-22(12-17)31-18-13-30-35(16-18)19-3-5-26-6-4-19/h2,7,12-16,19,26-27H,3-6,8-11H2,1H3,(H,29,31)
InChIKeyZMOORWCCIZKUCA-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.37
Rot. Bonds6

About 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 86716729) has the molecular formula C25H30N10O and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID86716729
Molecular FormulaC25H30N10O
Molecular Weight486.58 g/mol
Exact Mass486.26
IUPAC Name4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1cncc2nc(-c3ccnc(Nc4cnn(C5CCNCC5)c4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C25H30N10O/c1-36-21-15-28-14-20-23(21)25(34-10-8-27-9-11-34)33-24(32-20)17-2-7-29-22(12-17)31-18-13-30-35(16-18)19-3-5-26-6-4-19/h2,7,12-16,19,26-27H,3-6,8-11H2,1H3,(H,29,31)
InChIKeyZMOORWCCIZKUCA-UHFFFAOYSA-N
XLogP2.37
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 86716729) is 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is COc1cncc2nc(-c3ccnc(Nc4cnn(C5CCNCC5)c4)c3)nc(N3CCNCC3)c12.
What is the InChIKey of 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is ZMOORWCCIZKUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N10O/c1-36-21-15-28-14-20-23(21)25(34-10-8-27-9-11-34)33-24(32-20)17-2-7-29-22(12-17)31-18-13-30-35(16-18)19-3-5-26-6-4-19/h2,7,12-16,19,26-27H,3-6,8-11H2,1H3,(H,29,31).
What are the key properties of 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 486.58 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 86716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).