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

C18H23ClN4O2 — CID 134373341

IUPAC4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C18H23ClN4O2/c1-20-17(25)23-6-2-12(3-7-23)18(4-5-18)16(24)14-9-13(19)8-11-10-21-22-15(11)14/h8-10,12,16,24H,2-7H2,1H3,(H,20,25)(H,21,22)
InChIKeyFYIRMFGOKZVOEL-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.08
Rot. Bonds3

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

4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide (PubChem CID 134373341) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
PubChem CID134373341
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1
InChIInChI=1S/C18H23ClN4O2/c1-20-17(25)23-6-2-12(3-7-23)18(4-5-18)16(24)14-9-13(19)8-11-10-21-22-15(11)14/h8-10,12,16,24H,2-7H2,1H3,(H,20,25)(H,21,22)
InChIKeyFYIRMFGOKZVOEL-UHFFFAOYSA-N
XLogP3.08
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.08
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-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide (CID 134373341) is 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.
What is the InChIKey of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is FYIRMFGOKZVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-20-17(25)23-6-2-12(3-7-23)18(4-5-18)16(24)14-9-13(19)8-11-10-21-22-15(11)14/h8-10,12,16,24H,2-7H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide?
4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.08, 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-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 134373341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).