Skip to content

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide

C26H31ClFN5O2 — CID 156630268

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
SMILESCCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C26H31ClFN5O2/c1-5-23(34)30-17-8-6-7-15(9-17)26(35)31-22-12-18(20(27)13-29-22)16-10-19-24(21(28)11-16)32-33(4)25(19)14(2)3/h10-15,17H,5-9H2,1-4H3,(H,30,34)(H,29,31,35)
InChIKeyURJVQQWWUXRWLM-UHFFFAOYSA-N
MW500.02 g/mol
LogP5.57
Rot. Bonds6

About N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide (PubChem CID 156630268) has the molecular formula C26H31ClFN5O2 and a molecular weight of 500.02 g/mol. Its IUPAC name is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
PubChem CID156630268
Molecular FormulaC26H31ClFN5O2
Molecular Weight500.02 g/mol
Exact Mass499.22
IUPAC NameN-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
SMILESCCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C26H31ClFN5O2/c1-5-23(34)30-17-8-6-7-15(9-17)26(35)31-22-12-18(20(27)13-29-22)16-10-19-24(21(28)11-16)32-33(4)25(19)14(2)3/h10-15,17H,5-9H2,1-4H3,(H,30,34)(H,29,31,35)
InChIKeyURJVQQWWUXRWLM-UHFFFAOYSA-N
XLogP5.57
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.02
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide (CID 156630268) is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide is CCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1.
What is the InChIKey of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?
The InChIKey is URJVQQWWUXRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5O2/c1-5-23(34)30-17-8-6-7-15(9-17)26(35)31-22-12-18(20(27)13-29-22)16-10-19-24(21(28)11-16)32-33(4)25(19)14(2)3/h10-15,17H,5-9H2,1-4H3,(H,30,34)(H,29,31,35).
What are the key properties of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?
N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide has a molecular weight of 500.02 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 156630268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.