[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

C30H36N8O — CID 10218078

IUPAC[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESNc1cc(CCCN2CCC(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)ccn1
InChIInChI=1S/C30H36N8O/c31-27-21-22(8-15-33-27)5-4-16-36-17-9-23(10-18-36)30(39)37-19-11-24(12-20-37)38-28-26(7-3-14-34-28)35-29(38)25-6-1-2-13-32-25/h1-3,6-8,13-15,21,23-24H,4-5,9-12,16-20H2,(H2,31,33)
InChIKeyCHRGGAQCGFQPSV-UHFFFAOYSA-N
MW524.67 g/mol
LogP3.98
Rot. Bonds7

About [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 10218078) has the molecular formula C30H36N8O and a molecular weight of 524.67 g/mol. Its IUPAC name is [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID10218078
Molecular FormulaC30H36N8O
Molecular Weight524.67 g/mol
Exact Mass524.30
IUPAC Name[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESNc1cc(CCCN2CCC(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)ccn1
InChIInChI=1S/C30H36N8O/c31-27-21-22(8-15-33-27)5-4-16-36-17-9-23(10-18-36)30(39)37-19-11-24(12-20-37)38-28-26(7-3-14-34-28)35-29(38)25-6-1-2-13-32-25/h1-3,6-8,13-15,21,23-24H,4-5,9-12,16-20H2,(H2,31,33)
InChIKeyCHRGGAQCGFQPSV-UHFFFAOYSA-N
XLogP3.98
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 10218078) is [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is Nc1cc(CCCN2CCC(C(=O)N3CCC(n4c(-c5ccccn5)nc5cccnc54)CC3)CC2)ccn1.
What is the InChIKey of [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is CHRGGAQCGFQPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O/c31-27-21-22(8-15-33-27)5-4-16-36-17-9-23(10-18-36)30(39)37-19-11-24(12-20-37)38-28-26(7-3-14-34-28)35-29(38)25-6-1-2-13-32-25/h1-3,6-8,13-15,21,23-24H,4-5,9-12,16-20H2,(H2,31,33).
What are the key properties of [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
[1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 524.67 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-amino-4-pyridinyl)propyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 10218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).