[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol

C24H23F2N5O — CID 121261490

IUPAC[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESNc1cccc(-c2ccnc3nc(-c4ccc(N5CCC(F)(F)CC5)cc4)[nH]c23)c1CO
InChIInChI=1S/C24H23F2N5O/c25-24(26)9-12-31(13-10-24)16-6-4-15(5-7-16)22-29-21-18(8-11-28-23(21)30-22)17-2-1-3-20(27)19(17)14-32/h1-8,11,32H,9-10,12-14,27H2,(H,28,29,30)
InChIKeyNIBBYCGUCKOLHS-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.60
Rot. Bonds4

About [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol

[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol (PubChem CID 121261490) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
PubChem CID121261490
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESNc1cccc(-c2ccnc3nc(-c4ccc(N5CCC(F)(F)CC5)cc4)[nH]c23)c1CO
InChIInChI=1S/C24H23F2N5O/c25-24(26)9-12-31(13-10-24)16-6-4-15(5-7-16)22-29-21-18(8-11-28-23(21)30-22)17-2-1-3-20(27)19(17)14-32/h1-8,11,32H,9-10,12-14,27H2,(H,28,29,30)
InChIKeyNIBBYCGUCKOLHS-UHFFFAOYSA-N
XLogP4.60
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol (CID 121261490) is [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol is Nc1cccc(-c2ccnc3nc(-c4ccc(N5CCC(F)(F)CC5)cc4)[nH]c23)c1CO.
What is the InChIKey of [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
The InChIKey is NIBBYCGUCKOLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c25-24(26)9-12-31(13-10-24)16-6-4-15(5-7-16)22-29-21-18(8-11-28-23(21)30-22)17-2-1-3-20(27)19(17)14-32/h1-8,11,32H,9-10,12-14,27H2,(H,28,29,30).
What are the key properties of [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol?
[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol has a molecular weight of 435.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 121261490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).