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

C24H24FN7 — CID 171629460

IUPAC4-[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
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3C)c(F)c1
InChIInChI=1S/C24H24FN7/c1-14-28-21-5-4-20(15-7-8-27-23(26)9-15)29-24(21)32(14)16-3-6-22(19(25)11-16)31-13-17-10-18(31)12-30(17)2/h3-9,11,17-18H,10,12-13H2,1-2H3,(H2,26,27)/t17-,18-/m0/s1
InChIKeyXTNVTFNLKSUKHC-ROUUACIJSA-N
MW429.50 g/mol
LogP3.40
Rot. Bonds3

About 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

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 (PubChem CID 171629460) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID171629460
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC Name4-[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
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3C)c(F)c1
InChIInChI=1S/C24H24FN7/c1-14-28-21-5-4-20(15-7-8-27-23(26)9-15)29-24(21)32(14)16-3-6-22(19(25)11-16)31-13-17-10-18(31)12-30(17)2/h3-9,11,17-18H,10,12-13H2,1-2H3,(H2,26,27)/t17-,18-/m0/s1
InChIKeyXTNVTFNLKSUKHC-ROUUACIJSA-N
XLogP3.40
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3C)c(F)c1.
What is the InChIKey of 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?
The InChIKey is XTNVTFNLKSUKHC-ROUUACIJSA-N. The full InChI is InChI=1S/C24H24FN7/c1-14-28-21-5-4-20(15-7-8-27-23(26)9-15)29-24(21)32(14)16-3-6-22(19(25)11-16)31-13-17-10-18(31)12-30(17)2/h3-9,11,17-18H,10,12-13H2,1-2H3,(H2,26,27)/t17-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 429.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171629460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).