4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide

C19H23ClN6O — CID 118408058

IUPAC4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCN1N=CC2=CC(c3cncc(Cl)c3N3CCC(N)(C(N)=O)CC3)=CCC21
InChIInChI=1S/C19H23ClN6O/c1-25-16-3-2-12(8-13(16)9-24-25)14-10-23-11-15(20)17(14)26-6-4-19(22,5-7-26)18(21)27/h2,8-11,16H,3-7,22H2,1H3,(H2,21,27)
InChIKeyZVGRSVCEWDHBDN-UHFFFAOYSA-N
MW386.89 g/mol
LogP1.53
Rot. Bonds3

About 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide

4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 118408058) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID118408058
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCN1N=CC2=CC(c3cncc(Cl)c3N3CCC(N)(C(N)=O)CC3)=CCC21
InChIInChI=1S/C19H23ClN6O/c1-25-16-3-2-12(8-13(16)9-24-25)14-10-23-11-15(20)17(14)26-6-4-19(22,5-7-26)18(21)27/h2,8-11,16H,3-7,22H2,1H3,(H2,21,27)
InChIKeyZVGRSVCEWDHBDN-UHFFFAOYSA-N
XLogP1.53
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide (CID 118408058) is 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide is CN1N=CC2=CC(c3cncc(Cl)c3N3CCC(N)(C(N)=O)CC3)=CCC21.
What is the InChIKey of 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ZVGRSVCEWDHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-25-16-3-2-12(8-13(16)9-24-25)14-10-23-11-15(20)17(14)26-6-4-19(22,5-7-26)18(21)27/h2,8-11,16H,3-7,22H2,1H3,(H2,21,27).
What are the key properties of 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide?
4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 386.89 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-chloro-5-(1-methyl-7,7a-dihydroindazol-5-yl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118408058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).