1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine

C23H22F3N7O — CID 70938150

IUPAC1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine
SMILESCOc1ccc(-n2c(-c3ccc(N4CCC(N)CC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H22F3N7O/c1-34-20-5-3-17(13-29-20)33-21-19(10-14(11-30-21)23(24,25)26)31-22(33)18-4-2-16(12-28-18)32-8-6-15(27)7-9-32/h2-5,10-13,15H,6-9,27H2,1H3
InChIKeyHNQDXAXLDKVSSL-UHFFFAOYSA-N
MW469.47 g/mol
LogP3.83
Rot. Bonds4

About 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine

1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine (PubChem CID 70938150) has the molecular formula C23H22F3N7O and a molecular weight of 469.47 g/mol. Its IUPAC name is 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine
PubChem CID70938150
Molecular FormulaC23H22F3N7O
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Name1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine
SMILESCOc1ccc(-n2c(-c3ccc(N4CCC(N)CC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H22F3N7O/c1-34-20-5-3-17(13-29-20)33-21-19(10-14(11-30-21)23(24,25)26)31-22(33)18-4-2-16(12-28-18)32-8-6-15(27)7-9-32/h2-5,10-13,15H,6-9,27H2,1H3
InChIKeyHNQDXAXLDKVSSL-UHFFFAOYSA-N
XLogP3.83
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine (CID 70938150) is 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine is COc1ccc(-n2c(-c3ccc(N4CCC(N)CC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine?
The InChIKey is HNQDXAXLDKVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-34-20-5-3-17(13-29-20)33-21-19(10-14(11-30-21)23(24,25)26)31-22(33)18-4-2-16(12-28-18)32-8-6-15(27)7-9-32/h2-5,10-13,15H,6-9,27H2,1H3.
What are the key properties of 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine?
1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine has a molecular weight of 469.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 70938150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).