6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C25H25N9O — CID 90098703

IUPAC6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)nc1
InChIInChI=1S/C25H25N9O/c26-23(35)17-3-4-20(30-12-17)32-21-11-16(5-6-29-21)24-31-19-14-28-13-18(15-1-2-15)22(19)25(33-24)34-9-7-27-8-10-34/h3-6,11-15,27H,1-2,7-10H2,(H2,26,35)(H,29,30,32)
InChIKeyVKZPZGCRRFDZBT-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.61
Rot. Bonds6

About 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 90098703) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID90098703
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)nc1
InChIInChI=1S/C25H25N9O/c26-23(35)17-3-4-20(30-12-17)32-21-11-16(5-6-29-21)24-31-19-14-28-13-18(15-1-2-15)22(19)25(33-24)34-9-7-27-8-10-34/h3-6,11-15,27H,1-2,7-10H2,(H2,26,35)(H,29,30,32)
InChIKeyVKZPZGCRRFDZBT-UHFFFAOYSA-N
XLogP2.61
TPSA134.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 90098703) is 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(Nc2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)nc1.
What is the InChIKey of 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is VKZPZGCRRFDZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c26-23(35)17-3-4-20(30-12-17)32-21-11-16(5-6-29-21)24-31-19-14-28-13-18(15-1-2-15)22(19)25(33-24)34-9-7-27-8-10-34/h3-6,11-15,27H,1-2,7-10H2,(H2,26,35)(H,29,30,32).
What are the key properties of 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90098703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).