N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide

C24H22F3N7O — CID 59251839

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESNc1ncc(-c2ccc3nc(NC(=O)N4CCCC4Cc4ccccn4)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)19-10-16(12-30-22(19)28)15-6-7-21-31-20(14-33(21)13-15)32-23(35)34-9-3-5-18(34)11-17-4-1-2-8-29-17/h1-2,4,6-8,10,12-14,18H,3,5,9,11H2,(H2,28,30)(H,32,35)
InChIKeyMKPNXNLJRUPTFM-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.63
Rot. Bonds4

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 59251839) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID59251839
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESNc1ncc(-c2ccc3nc(NC(=O)N4CCCC4Cc4ccccn4)cn3c2)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)19-10-16(12-30-22(19)28)15-6-7-21-31-20(14-33(21)13-15)32-23(35)34-9-3-5-18(34)11-17-4-1-2-8-29-17/h1-2,4,6-8,10,12-14,18H,3,5,9,11H2,(H2,28,30)(H,32,35)
InChIKeyMKPNXNLJRUPTFM-UHFFFAOYSA-N
XLogP4.63
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide (CID 59251839) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide is Nc1ncc(-c2ccc3nc(NC(=O)N4CCCC4Cc4ccccn4)cn3c2)cc1C(F)(F)F.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is MKPNXNLJRUPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c25-24(26,27)19-10-16(12-30-22(19)28)15-6-7-21-31-20(14-33(21)13-15)32-23(35)34-9-3-5-18(34)11-17-4-1-2-8-29-17/h1-2,4,6-8,10,12-14,18H,3,5,9,11H2,(H2,28,30)(H,32,35).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 59251839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).