[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C20H29F3N4O3 — CID 118742972

IUPAC[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O.C2HF3O2/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20;3-2(4,5)1(6)7/h12-14,17H,3-11H2,1-2H3;(H,6,7)
InChIKeyVXCAACWRTYGYLZ-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.03
Rot. Bonds4

About [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742972) has the molecular formula C20H29F3N4O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118742972
Molecular FormulaC20H29F3N4O3
Molecular Weight430.47 g/mol
Exact Mass430.22
IUPAC Name[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O.C2HF3O2/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20;3-2(4,5)1(6)7/h12-14,17H,3-11H2,1-2H3;(H,6,7)
InChIKeyVXCAACWRTYGYLZ-UHFFFAOYSA-N
XLogP3.03
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 118742972) is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is CC(C)n1cnc2c1C(C(=O)N1CCCC1)N(CC1CC1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VXCAACWRTYGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C2HF3O2/c1-13(2)22-12-19-15-7-10-21(11-14-5-6-14)17(16(15)22)18(23)20-8-3-4-9-20;3-2(4,5)1(6)7/h12-14,17H,3-11H2,1-2H3;(H,6,7).
What are the key properties of [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 430.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).