(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride

C23H24ClFN8O — CID 171636677

IUPAC(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cc(C(=O)N2CC(c3nn(Cc4cn(CC5CC5)nn4)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H23FN8O.ClH/c24-18-2-1-3-19-21(18)22(16-10-30(11-16)23(33)15-6-7-26-20(25)8-15)28-32(19)13-17-12-31(29-27-17)9-14-4-5-14;/h1-3,6-8,12,14,16H,4-5,9-11,13H2,(H2,25,26);1H
InChIKeyOOVLYRAQGZCCDL-UHFFFAOYSA-N
MW482.95 g/mol
LogP2.86
Rot. Bonds6

About (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride

(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride (PubChem CID 171636677) has the molecular formula C23H24ClFN8O and a molecular weight of 482.95 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
PubChem CID171636677
Molecular FormulaC23H24ClFN8O
Molecular Weight482.95 g/mol
Exact Mass482.17
IUPAC Name(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1cc(C(=O)N2CC(c3nn(Cc4cn(CC5CC5)nn4)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H23FN8O.ClH/c24-18-2-1-3-19-21(18)22(16-10-30(11-16)23(33)15-6-7-26-20(25)8-15)28-32(19)13-17-12-31(29-27-17)9-14-4-5-14;/h1-3,6-8,12,14,16H,4-5,9-11,13H2,(H2,25,26);1H
InChIKeyOOVLYRAQGZCCDL-UHFFFAOYSA-N
XLogP2.86
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-amino-4-pyridinyl)-[3-[4-fluoro-1-[(1-phenyltriazol-4-yl)methyl]indazol-3-yl]azetidin-1-yl]methanone
CID 171636736
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
CID 171636850
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 171636663
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636925
(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
CID 177308012
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethoxymethyl)pyrrolidin-1-yl]ethanone
CID 171636669
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636786
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 46997721
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563
2-[3-[1-[2-(cyclopropylamino)pyridine-4-carbonyl]azetidin-3-yl]-4,7-difluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636698
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride (CID 171636677) is (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride is Cl.Nc1cc(C(=O)N2CC(c3nn(Cc4cn(CC5CC5)nn4)c4cccc(F)c34)C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride?
The InChIKey is OOVLYRAQGZCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O.ClH/c24-18-2-1-3-19-21(18)22(16-10-30(11-16)23(33)15-6-7-26-20(25)8-15)28-32(19)13-17-12-31(29-27-17)9-14-4-5-14;/h1-3,6-8,12,14,16H,4-5,9-11,13H2,(H2,25,26);1H.
What are the key properties of (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride?
(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride has a molecular weight of 482.95 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 171636677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).