[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate

C20H19ClN6O2 — CID 175516348

IUPAC[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate
SMILESCn1ncc2cc(-c3c(C#N)cc(N4CCC(OC(N)=O)CC4)nc3Cl)ccc21
InChIInChI=1S/C20H19ClN6O2/c1-26-16-3-2-12(8-14(16)11-24-26)18-13(10-22)9-17(25-19(18)21)27-6-4-15(5-7-27)29-20(23)28/h2-3,8-9,11,15H,4-7H2,1H3,(H2,23,28)
InChIKeyRFCBQFHNJFYTBY-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.22
Rot. Bonds3

About [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate

[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate (PubChem CID 175516348) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate
PubChem CID175516348
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate
SMILESCn1ncc2cc(-c3c(C#N)cc(N4CCC(OC(N)=O)CC4)nc3Cl)ccc21
InChIInChI=1S/C20H19ClN6O2/c1-26-16-3-2-12(8-14(16)11-24-26)18-13(10-22)9-17(25-19(18)21)27-6-4-15(5-7-27)29-20(23)28/h2-3,8-9,11,15H,4-7H2,1H3,(H2,23,28)
InChIKeyRFCBQFHNJFYTBY-UHFFFAOYSA-N
XLogP3.22
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate 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 [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate (CID 175516348) is [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate is Cn1ncc2cc(-c3c(C#N)cc(N4CCC(OC(N)=O)CC4)nc3Cl)ccc21.
What is the InChIKey of [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate?
The InChIKey is RFCBQFHNJFYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-26-16-3-2-12(8-14(16)11-24-26)18-13(10-22)9-17(25-19(18)21)27-6-4-15(5-7-27)29-20(23)28/h2-3,8-9,11,15H,4-7H2,1H3,(H2,23,28).
What are the key properties of [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate?
[1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate has a molecular weight of 410.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-chloro-4-cyano-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 175516348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).