1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C21H23F2N5OS — CID 45213487

IUPAC1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NCc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C21H23F2N5OS/c22-14-8-15(23)10-16(9-14)28-20-3-1-2-19(18(20)13-26-28)24-11-17-12-25-21(30-17)27-4-6-29-7-5-27/h8-10,12-13,19,24H,1-7,11H2
InChIKeyMKSIRQJYWLSEEK-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45213487) has the molecular formula C21H23F2N5OS and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45213487
Molecular FormulaC21H23F2N5OS
Molecular Weight431.51 g/mol
Exact Mass431.16
IUPAC Name1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NCc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C21H23F2N5OS/c22-14-8-15(23)10-16(9-14)28-20-3-1-2-19(18(20)13-26-28)24-11-17-12-25-21(30-17)27-4-6-29-7-5-27/h8-10,12-13,19,24H,1-7,11H2
InChIKeyMKSIRQJYWLSEEK-UHFFFAOYSA-N
XLogP3.61
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45223288
(4R)-4-(diethylsulfamoylamino)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazole
CID 97128287
(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95575479
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
1-(3,5-dimethylphenyl)-N-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45222375
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45206123
(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778624
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
(4S)-6,6-dimethyl-1-(2-methylphenyl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 26332183
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 45213487) is 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Fc1cc(F)cc(-n2ncc3c2CCCC3NCc2cnc(N3CCOCC3)s2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is MKSIRQJYWLSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5OS/c22-14-8-15(23)10-16(9-14)28-20-3-1-2-19(18(20)13-26-28)24-11-17-12-25-21(30-17)27-4-6-29-7-5-27/h8-10,12-13,19,24H,1-7,11H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 431.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45213487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).