N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide

C31H36N6O — CID 157064960

IUPACN-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(-n2nc(N3CCN(C4CCCCC4)CC3)c3ccccc32)cc1
InChIInChI=1S/C31H36N6O/c38-30(17-12-24-7-6-18-32-23-24)33-25-13-15-27(16-14-25)37-29-11-5-4-10-28(29)31(34-37)36-21-19-35(20-22-36)26-8-2-1-3-9-26/h4-7,10-11,13-16,18,23,26H,1-3,8-9,12,17,19-22H2,(H,33,38)
InChIKeyABTPEOMSJLMMQD-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.45
Rot. Bonds7

About N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide

N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 157064960) has the molecular formula C31H36N6O and a molecular weight of 508.67 g/mol. Its IUPAC name is N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide
PubChem CID157064960
Molecular FormulaC31H36N6O
Molecular Weight508.67 g/mol
Exact Mass508.30
IUPAC NameN-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(-n2nc(N3CCN(C4CCCCC4)CC3)c3ccccc32)cc1
InChIInChI=1S/C31H36N6O/c38-30(17-12-24-7-6-18-32-23-24)33-25-13-15-27(16-14-25)37-29-11-5-4-10-28(29)31(34-37)36-21-19-35(20-22-36)26-8-2-1-3-9-26/h4-7,10-11,13-16,18,23,26H,1-3,8-9,12,17,19-22H2,(H,33,38)
InChIKeyABTPEOMSJLMMQD-UHFFFAOYSA-N
XLogP5.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71165066
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2-methylindol-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71165049
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 70760472
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-(2,6-dichlorophenyl)-4-[4-(3-pyridin-3-ylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258332
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 44754054
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 91773911
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide (CID 157064960) is N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(-n2nc(N3CCN(C4CCCCC4)CC3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is ABTPEOMSJLMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O/c38-30(17-12-24-7-6-18-32-23-24)33-25-13-15-27(16-14-25)37-29-11-5-4-10-28(29)31(34-37)36-21-19-35(20-22-36)26-8-2-1-3-9-26/h4-7,10-11,13-16,18,23,26H,1-3,8-9,12,17,19-22H2,(H,33,38).
What are the key properties of N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide?
N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 508.67 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-cyclohexylpiperazin-1-yl)indazol-1-yl]phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 157064960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).