1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide

C19H20ClFN6O — CID 118564083

IUPAC1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
SMILESCn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21
InChIInChI=1S/C19H20ClFN6O/c1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28/h2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28)
InChIKeyDEWGJPAWKBOLBF-UHFFFAOYSA-N
MW402.86 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide

1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide (PubChem CID 118564083) has the molecular formula C19H20ClFN6O and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
PubChem CID118564083
Molecular FormulaC19H20ClFN6O
Molecular Weight402.86 g/mol
Exact Mass402.14
IUPAC Name1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide
SMILESCn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21
InChIInChI=1S/C19H20ClFN6O/c1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28/h2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28)
InChIKeyDEWGJPAWKBOLBF-UHFFFAOYSA-N
XLogP2.66
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide with MolForge

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Related Compounds

8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 74222277
JH-Xvi-178
CID 156445498
8-[2-amino-5-(3-amino-1H-indazol-6-yl)-3-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 74221936
8-[2-Amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222108
8-(3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928414
8-[3-(3-Amino-1-methylindazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408129
8-[3-chloro-5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 156409239
US11673893, Example 10
CID 156136472
US11673893, Example 12
CID 156136486
US11673893, Example 4
CID 156136497
US11673893, Example 6
CID 156136513
US11673893, Example 7
CID 156136543

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide (CID 118564083) is 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide is Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC(F)(C(N)=O)CC3)ccc21.
What is the InChIKey of 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
The InChIKey is DEWGJPAWKBOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6O/c1-26-14-3-2-11(8-12(14)9-25-26)13-10-24-17(22)15(20)16(13)27-6-4-19(21,5-7-27)18(23)28/h2-3,8-10H,4-7H2,1H3,(H2,22,24)(H2,23,28).
What are the key properties of 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide?
1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-4-fluoropiperidine-4-carboxamide is sourced from PubChem (CID 118564083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).