N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

C24H24FN5O2 — CID 177305460

IUPACN-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C24H24FN5O2/c25-19-10-15(3-5-21(19)30-13-18-11-16(30)14-32-18)12-27-20-7-8-26-24-23(20)28-22(29-24)6-4-17-2-1-9-31-17/h1-3,5,7-10,16,18H,4,6,11-14H2,(H2,26,27,28,29)/t16-,18-/m0/s1
InChIKeyNXAYTJCRTWQNAI-WMZOPIPTSA-N
MW433.49 g/mol
LogP4.06
Rot. Bonds7

About N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine

N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 177305460) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID177305460
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESFc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C24H24FN5O2/c25-19-10-15(3-5-21(19)30-13-18-11-16(30)14-32-18)12-27-20-7-8-26-24-23(20)28-22(29-24)6-4-17-2-1-9-31-17/h1-3,5,7-10,16,18H,4,6,11-14H2,(H2,26,27,28,29)/t16-,18-/m0/s1
InChIKeyNXAYTJCRTWQNAI-WMZOPIPTSA-N
XLogP4.06
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 177305460) is N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is Fc1cc(CNc2ccnc3nc(CCc4ccco4)[nH]c23)ccc1N1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is NXAYTJCRTWQNAI-WMZOPIPTSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-19-10-15(3-5-21(19)30-13-18-11-16(30)14-32-18)12-27-20-7-8-26-24-23(20)28-22(29-24)6-4-17-2-1-9-31-17/h1-3,5,7-10,16,18H,4,6,11-14H2,(H2,26,27,28,29)/t16-,18-/m0/s1.
What are the key properties of N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine?
N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 433.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 177305460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).