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

C20H29F3N4O4 — CID 118742953

IUPAC[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cnc2c1C(C(=O)N1CCOCC1)N(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)22-12-19-15-5-6-21(11-14-3-4-14)17(16(15)22)18(23)20-7-9-24-10-8-20;3-2(4,5)1(6)7/h12-14,17H,3-11H2,1-2H3;(H,6,7)
InChIKeyNXELWOIANJICMI-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.27
Rot. Bonds4

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

[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742953) has the molecular formula C20H29F3N4O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118742953
Molecular FormulaC20H29F3N4O4
Molecular Weight446.47 g/mol
Exact Mass446.21
IUPAC Name[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cnc2c1C(C(=O)N1CCOCC1)N(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)22-12-19-15-5-6-21(11-14-3-4-14)17(16(15)22)18(23)20-7-9-24-10-8-20;3-2(4,5)1(6)7/h12-14,17H,3-11H2,1-2H3;(H,6,7)
InChIKeyNXELWOIANJICMI-UHFFFAOYSA-N
XLogP2.27
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-morpholin-4-ylmethanone
CID 118742695
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone
CID 118742954
(3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742694
[5-(cyclopropylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742955
1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742966
[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
(1-Fluorocyclopropyl)-[5-(2-methoxyethyl)-3,5,9,12-tetrazatricyclo[7.4.0.02,6]trideca-2(6),3-dien-12-yl]methanone
CID 131688199
(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131696155
(3,3-difluorocyclobutyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131696163
(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827074
1-methyl-5-(oxan-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155834192

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]-morpholin-4-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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 118742953) is [5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-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]-morpholin-4-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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is CC(C)n1cnc2c1C(C(=O)N1CCOCC1)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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is NXELWOIANJICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.C2HF3O2/c1-13(2)22-12-19-15-5-6-21(11-14-3-4-14)17(16(15)22)18(23)20-7-9-24-10-8-20;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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[5-(cyclopropylmethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).