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

C25H26N6 — CID 68905815

IUPAC4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESC[C@H](Nc1cc(-n2nc(N3C[C@@H]4C[C@H]3CN4)c3ccccc32)ccn1)c1ccccc1
InChIInChI=1S/C25H26N6/c1-17(18-7-3-2-4-8-18)28-24-14-20(11-12-26-24)31-23-10-6-5-9-22(23)25(29-31)30-16-19-13-21(30)15-27-19/h2-12,14,17,19,21,27H,13,15-16H2,1H3,(H,26,28)/t17-,19-,21-/m0/s1
InChIKeyTWYYQCKDAVLTKR-CUWPLCDZSA-N
MW410.53 g/mol
LogP4.14
Rot. Bonds5

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

4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine (PubChem CID 68905815) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
PubChem CID68905815
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
SMILESC[C@H](Nc1cc(-n2nc(N3C[C@@H]4C[C@H]3CN4)c3ccccc32)ccn1)c1ccccc1
InChIInChI=1S/C25H26N6/c1-17(18-7-3-2-4-8-18)28-24-14-20(11-12-26-24)31-23-10-6-5-9-22(23)25(29-31)30-16-19-13-21(30)15-27-19/h2-12,14,17,19,21,27H,13,15-16H2,1H3,(H,26,28)/t17-,19-,21-/m0/s1
InChIKeyTWYYQCKDAVLTKR-CUWPLCDZSA-N
XLogP4.14
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine with MolForge

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Related Compounds

tert-butyl 5-[1-[2-(1-phenylethylamino)-4-pyridinyl]indazol-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68910731
4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(2-fluorophenyl)methyl]pyridin-2-amine
CID 11165901
4-[2-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 91085698
N-benzyl-4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoroindazol-1-yl]-N-methylpyridin-2-amine
CID 68908623
1-[2-(benzylamino)-4-pyridinyl]-N-[(4-methylpyrrolidin-2-yl)methyl]indazol-3-amine
CID 143082460
tert-butyl (1S,4S)-5-[2-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]quinazolin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68906014
4-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinolin-2-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 68909749
1-chloro-4-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phthalazine
CID 15967372
3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide
CID 74369223
3-methyl-1-(2-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
CID 25093244
N-[(1R)-1-phenylethyl]-4-[5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-c]pyrimidin-7-yl]pyridin-2-amine
CID 11363004
N-[2-(3-methoxyphenyl)ethyl]-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170133

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 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) is 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is C[C@H](Nc1cc(-n2nc(N3C[C@@H]4C[C@H]3CN4)c3ccccc32)ccn1)c1ccccc1.
What is the InChIKey of 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
The InChIKey is TWYYQCKDAVLTKR-CUWPLCDZSA-N. The full InChI is InChI=1S/C25H26N6/c1-17(18-7-3-2-4-8-18)28-24-14-20(11-12-26-24)31-23-10-6-5-9-22(23)25(29-31)30-16-19-13-21(30)15-27-19/h2-12,14,17,19,21,27H,13,15-16H2,1H3,(H,26,28)/t17-,19-,21-/m0/s1.
What are the key properties of 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine?
4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine has a molecular weight of 410.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 68905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).