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

C23H21F2N5 — CID 45223288

IUPAC1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NCc2cccn2-c2ccccn2)c1
InChIInChI=1S/C23H21F2N5/c24-16-11-17(25)13-19(12-16)30-22-7-3-6-21(20(22)15-28-30)27-14-18-5-4-10-29(18)23-8-1-2-9-26-23/h1-2,4-5,8-13,15,21,27H,3,6-7,14H2
InChIKeySPXMWAYDOWRBNU-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.50
Rot. Bonds5

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

1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45223288) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45223288
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC Name1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NCc2cccn2-c2ccccn2)c1
InChIInChI=1S/C23H21F2N5/c24-16-11-17(25)13-19(12-16)30-22-7-3-6-21(20(22)15-28-30)27-14-18-5-4-10-29(18)23-8-1-2-9-26-23/h1-2,4-5,8-13,15,21,27H,3,6-7,14H2
InChIKeySPXMWAYDOWRBNU-UHFFFAOYSA-N
XLogP4.50
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42292954
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
(4R)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42293274
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
(4R)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198917
(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 29086175
(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26407661
1-(3,5-difluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45213487
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 45223288) is 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Fc1cc(F)cc(-n2ncc3c2CCCC3NCc2cccn2-c2ccccn2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SPXMWAYDOWRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c24-16-11-17(25)13-19(12-16)30-22-7-3-6-21(20(22)15-28-30)27-14-18-5-4-10-29(18)23-8-1-2-9-26-23/h1-2,4-5,8-13,15,21,27H,3,6-7,14H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 405.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45223288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).