3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C25H30N6O2 — CID 42291079

IUPAC3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30N6O2/c32-23(30-16-14-29(15-17-30)22-9-3-4-12-26-22)11-10-19-6-5-13-31(18-19)25(33)24-20-7-1-2-8-21(20)27-28-24/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,27,28)/t19-/m1/s1
InChIKeyFXAASXYQOJKFRP-LJQANCHMSA-N
MW446.56 g/mol
LogP2.94
Rot. Bonds5

About 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 42291079) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID42291079
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30N6O2/c32-23(30-16-14-29(15-17-30)22-9-3-4-12-26-22)11-10-19-6-5-13-31(18-19)25(33)24-20-7-1-2-8-21(20)27-28-24/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,27,28)/t19-/m1/s1
InChIKeyFXAASXYQOJKFRP-LJQANCHMSA-N
XLogP2.94
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225
3-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25308182
3-[1-(2,3-dimethylbenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 24818863
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[(3S)-1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-3-yl]propan-1-one
CID 126436917
1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893349
3-[1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 24817468
3-[1-(3,4-difluorobenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 24817474
3-[1-(1-benzofuran-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45220072
3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
3-[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26396024
3-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 97283542
3-[1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72923350

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 42291079) is 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is FXAASXYQOJKFRP-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-23(30-16-14-29(15-17-30)22-9-3-4-12-26-22)11-10-19-6-5-13-31(18-19)25(33)24-20-7-1-2-8-21(20)27-28-24/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,27,28)/t19-/m1/s1.
What are the key properties of 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 446.56 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 42291079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).