[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C24H21F3N6O2 — CID 174173824

IUPAC[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccncc1-c1nc2nccc(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2[nH]1
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)35-16-3-1-15(2-4-16)23(34)33-11-7-14(8-12-33)17-5-10-30-22-20(17)31-21(32-22)18-13-29-9-6-19(18)28/h1-6,9-10,13-14H,7-8,11-12H2,(H2,28,29)(H,30,31,32)
InChIKeySIOJHOHJCHMKTQ-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.52
Rot. Bonds4

About [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 174173824) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID174173824
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccncc1-c1nc2nccc(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2[nH]1
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)35-16-3-1-15(2-4-16)23(34)33-11-7-14(8-12-33)17-5-10-30-22-20(17)31-21(32-22)18-13-29-9-6-19(18)28/h1-6,9-10,13-14H,7-8,11-12H2,(H2,28,29)(H,30,31,32)
InChIKeySIOJHOHJCHMKTQ-UHFFFAOYSA-N
XLogP4.52
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 174173824) is [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is Nc1ccncc1-c1nc2nccc(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2[nH]1.
What is the InChIKey of [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is SIOJHOHJCHMKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c25-24(26,27)35-16-3-1-15(2-4-16)23(34)33-11-7-14(8-12-33)17-5-10-30-22-20(17)31-21(32-22)18-13-29-9-6-19(18)28/h1-6,9-10,13-14H,7-8,11-12H2,(H2,28,29)(H,30,31,32).
What are the key properties of [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 482.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-amino-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 174173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).