4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine

C23H21F2N7 — CID 171629472

IUPAC4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cc(F)c(N2CC3(CNC3)C2)c(F)c1
InChIInChI=1S/C23H21F2N7/c1-13-29-19-3-2-18(14-4-5-28-20(26)6-14)30-22(19)32(13)15-7-16(24)21(17(25)8-15)31-11-23(12-31)9-27-10-23/h2-8,27H,9-12H2,1H3,(H2,26,28)
InChIKeyLZTAGKYFZUHHIB-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.06
Rot. Bonds3

About 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine

4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine (PubChem CID 171629472) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
PubChem CID171629472
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cc(F)c(N2CC3(CNC3)C2)c(F)c1
InChIInChI=1S/C23H21F2N7/c1-13-29-19-3-2-18(14-4-5-28-20(26)6-14)30-22(19)32(13)15-7-16(24)21(17(25)8-15)31-11-23(12-31)9-27-10-23/h2-8,27H,9-12H2,1H3,(H2,26,28)
InChIKeyLZTAGKYFZUHHIB-UHFFFAOYSA-N
XLogP3.06
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine with MolForge

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Related Compounds

4-[3-[3-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629460
ethane;4-[3-[3-fluoro-4-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629564
4-[2-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316096
4-[3-[3,5-dichloro-4-(4-prop-2-ynylpiperazin-1-yl)phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629668
4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316018
4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316045
tert-butyl 3-[4-[2,6-difluoro-4-[2-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]imidazo[4,5-b]pyridin-3-yl]phenyl]piperazin-1-yl]azetidine-1-carboxylate
CID 171629422
4-[[1-[1-[1-[6-[3-[3-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]azetidin-1-yl]prop-1-ynyl]-3-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171629490
4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 170641373
4-quinolin-2-ylpyridin-2-amine
CID 82556017
2-[7-[[4-[[4-[5-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]-5-oxopentyl]piperazin-1-yl]methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171629342
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine (CID 171629472) is 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine is Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1cc(F)c(N2CC3(CNC3)C2)c(F)c1.
What is the InChIKey of 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The InChIKey is LZTAGKYFZUHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c1-13-29-19-3-2-18(14-4-5-28-20(26)6-14)30-22(19)32(13)15-7-16(24)21(17(25)8-15)31-11-23(12-31)9-27-10-23/h2-8,27H,9-12H2,1H3,(H2,26,28).
What are the key properties of 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine has a molecular weight of 433.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 171629472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).