4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine

C24H23FN6 — CID 11165901

IUPAC4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccccc1CNc1cc(-n2nc(N3CC4CC3CN4)c3ccccc32)ccn1
InChIInChI=1S/C24H23FN6/c25-21-7-3-1-5-16(21)13-28-23-12-18(9-10-26-23)31-22-8-4-2-6-20(22)24(29-31)30-15-17-11-19(30)14-27-17/h1-10,12,17,19,27H,11,13-15H2,(H,26,28)
InChIKeyMARDPYBSLDEUHC-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.72
Rot. Bonds5

About 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine

4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 11165901) has the molecular formula C24H23FN6 and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine
PubChem CID11165901
Molecular FormulaC24H23FN6
Molecular Weight414.49 g/mol
Exact Mass414.20
IUPAC Name4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccccc1CNc1cc(-n2nc(N3CC4CC3CN4)c3ccccc32)ccn1
InChIInChI=1S/C24H23FN6/c25-21-7-3-1-5-16(21)13-28-23-12-18(9-10-26-23)31-22-8-4-2-6-20(22)24(29-31)30-15-17-11-19(30)14-27-17/h1-10,12,17,19,27H,11,13-15H2,(H,26,28)
InChIKeyMARDPYBSLDEUHC-UHFFFAOYSA-N
XLogP3.72
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 68905815
1-[2-(benzylamino)-4-pyridinyl]-N-[(4-methylpyrrolidin-2-yl)methyl]indazol-3-amine
CID 143082460
2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-(3,4-difluorophenyl)-3-methyl-6-[2-(2-phenylethylamino)-4-pyridinyl]pyrimidin-4-one
CID 68908022
1-chloro-4-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phthalazine
CID 15967372
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
CID 58227172
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
CID 18375438
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine (CID 11165901) is 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine is Fc1ccccc1CNc1cc(-n2nc(N3CC4CC3CN4)c3ccccc32)ccn1.
What is the InChIKey of 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is MARDPYBSLDEUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6/c25-21-7-3-1-5-16(21)13-28-23-12-18(9-10-26-23)31-22-8-4-2-6-20(22)24(29-31)30-15-17-11-19(30)14-27-17/h1-10,12,17,19,27H,11,13-15H2,(H,26,28).
What are the key properties of 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 414.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 11165901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).