6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine

C26H29F6N5 — CID 58795827

IUPAC6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine
SMILESCc1nc2cc(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N(CC3CC3)CC3CC3)nc2n1C
InChIInChI=1S/C26H29F6N5/c1-15-34-22-9-19(12-33-11-18-7-20(25(27,28)29)10-21(8-18)26(30,31)32)23(35-24(22)36(15)2)37(13-16-3-4-16)14-17-5-6-17/h7-10,16-17,33H,3-6,11-14H2,1-2H3
InChIKeyGNJWSLOYDWGTRH-UHFFFAOYSA-N
MW525.54 g/mol
LogP6.23
Rot. Bonds9

About 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine

6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine (PubChem CID 58795827) has the molecular formula C26H29F6N5 and a molecular weight of 525.54 g/mol. Its IUPAC name is 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine
PubChem CID58795827
Molecular FormulaC26H29F6N5
Molecular Weight525.54 g/mol
Exact Mass525.23
IUPAC Name6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine
SMILESCc1nc2cc(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N(CC3CC3)CC3CC3)nc2n1C
InChIInChI=1S/C26H29F6N5/c1-15-34-22-9-19(12-33-11-18-7-20(25(27,28)29)10-21(8-18)26(30,31)32)23(35-24(22)36(15)2)37(13-16-3-4-16)14-17-5-6-17/h7-10,16-17,33H,3-6,11-14H2,1-2H3
InChIKeyGNJWSLOYDWGTRH-UHFFFAOYSA-N
XLogP6.23
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine (CID 58795827) is 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine is Cc1nc2cc(CNCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(N(CC3CC3)CC3CC3)nc2n1C.
What is the InChIKey of 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is GNJWSLOYDWGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F6N5/c1-15-34-22-9-19(12-33-11-18-7-20(25(27,28)29)10-21(8-18)26(30,31)32)23(35-24(22)36(15)2)37(13-16-3-4-16)14-17-5-6-17/h7-10,16-17,33H,3-6,11-14H2,1-2H3.
What are the key properties of 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine?
6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 525.54 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-N,N-bis(cyclopropylmethyl)-2,3-dimethylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 58795827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).