4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide

C18H22ClFN4O2 — CID 134373753

IUPAC4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C(O)c3c(F)c(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C18H22ClFN4O2/c1-21-17(26)24-6-2-11(3-7-24)18(4-5-18)16(25)13-14(20)12(19)8-10-9-22-23-15(10)13/h8-9,11,16,25H,2-7H2,1H3,(H,21,26)(H,22,23)
InChIKeyHQMMKFLTLXQNCU-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.22
Rot. Bonds3

About 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide

4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide (PubChem CID 134373753) has the molecular formula C18H22ClFN4O2 and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
PubChem CID134373753
Molecular FormulaC18H22ClFN4O2
Molecular Weight380.85 g/mol
Exact Mass380.14
IUPAC Name4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C(O)c3c(F)c(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C18H22ClFN4O2/c1-21-17(26)24-6-2-11(3-7-24)18(4-5-18)16(25)13-14(20)12(19)8-10-9-22-23-15(10)13/h8-9,11,16,25H,2-7H2,1H3,(H,21,26)(H,22,23)
InChIKeyHQMMKFLTLXQNCU-UHFFFAOYSA-N
XLogP3.22
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide (CID 134373753) is 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2(C(O)c3c(F)c(Cl)cc4cn[nH]c34)CC2)CC1.
What is the InChIKey of 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is HQMMKFLTLXQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O2/c1-21-17(26)24-6-2-11(3-7-24)18(4-5-18)16(25)13-14(20)12(19)8-10-9-22-23-15(10)13/h8-9,11,16,25H,2-7H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 380.85 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 134373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).