(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine

C18H20FN7 — CID 177038528

IUPAC(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C\c1n[nH]c(C)n1)c1cc(F)c2nn(C3CCNCC3)cc2c1
InChIInChI=1S/C18H20FN7/c1-11-22-17(24-23-11)3-2-16(20)12-8-13-10-26(14-4-6-21-7-5-14)25-18(13)15(19)9-12/h2-3,8-10,14,20-21H,4-7H2,1H3,(H,22,23,24)/b3-2-,20-16-
InChIKeyLWELQHPOPVETST-PBBWQNPTSA-N
MW353.41 g/mol
LogP2.61
Rot. Bonds4

About (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine

(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine (PubChem CID 177038528) has the molecular formula C18H20FN7 and a molecular weight of 353.41 g/mol. Its IUPAC name is (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine
PubChem CID177038528
Molecular FormulaC18H20FN7
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC Name(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine
SMILES[H]/N=C(/C=C\c1n[nH]c(C)n1)c1cc(F)c2nn(C3CCNCC3)cc2c1
InChIInChI=1S/C18H20FN7/c1-11-22-17(24-23-11)3-2-16(20)12-8-13-10-26(14-4-6-21-7-5-14)25-18(13)15(19)9-12/h2-3,8-10,14,20-21H,4-7H2,1H3,(H,22,23,24)/b3-2-,20-16-
InChIKeyLWELQHPOPVETST-PBBWQNPTSA-N
XLogP2.61
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide
CID 174579006
6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol
CID 177071351
4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
CID 177038460
6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 177038494
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
4-(5-bromo-7-fluoroindazol-2-yl)-1-methylcyclohexane-1-carboxylic acid
CID 172800222
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70748771

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine (CID 177038528) is (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine is [H]/N=C(/C=C\c1n[nH]c(C)n1)c1cc(F)c2nn(C3CCNCC3)cc2c1.
What is the InChIKey of (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine?
The InChIKey is LWELQHPOPVETST-PBBWQNPTSA-N. The full InChI is InChI=1S/C18H20FN7/c1-11-22-17(24-23-11)3-2-16(20)12-8-13-10-26(14-4-6-21-7-5-14)25-18(13)15(19)9-12/h2-3,8-10,14,20-21H,4-7H2,1H3,(H,22,23,24)/b3-2-,20-16-.
What are the key properties of (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine?
(Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine has a molecular weight of 353.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-imine is sourced from PubChem (CID 177038528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).