2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C38H45FN10O2S2 — CID 87613170

IUPAC2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ccccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/C19H22FN5OS.C19H23N5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19;20-18-15-8-4-5-9-16(15)22-24(18)23(19-21-12-13-26-19)17(25)11-10-14-6-2-1-3-7-14/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26);4-5,8-9,12-14H,1-3,6-7,10-11,20H2
InChIKeyGFTUJLYORQOFHM-UHFFFAOYSA-N
MW756.98 g/mol
LogP8.60
Rot. Bonds10

About 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87613170) has the molecular formula C38H45FN10O2S2 and a molecular weight of 756.98 g/mol. Its IUPAC name is 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87613170
Molecular FormulaC38H45FN10O2S2
Molecular Weight756.98 g/mol
Exact Mass756.32
IUPAC Name2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ccccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/C19H22FN5OS.C19H23N5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19;20-18-15-8-4-5-9-16(15)22-24(18)23(19-21-12-13-26-19)17(25)11-10-14-6-2-1-3-7-14/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26);4-5,8-9,12-14H,1-3,6-7,10-11,20H2
InChIKeyGFTUJLYORQOFHM-UHFFFAOYSA-N
XLogP8.60
TPSA162.87 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.98
LogP ≤ 58.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 87613170) is 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is Nc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ccccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1.
What is the InChIKey of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GFTUJLYORQOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS.C19H23N5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19;20-18-15-8-4-5-9-16(15)22-24(18)23(19-21-12-13-26-19)17(25)11-10-14-6-2-1-3-7-14/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26);4-5,8-9,12-14H,1-3,6-7,10-11,20H2.
What are the key properties of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 756.98 g/mol, XLogP of 8.60, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;N-(3-aminoindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87613170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).