(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C16H23FN4O2 — CID 131696155

IUPAC(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1CCN(C(=O)C1(F)CC1)C2CN1CCOCC1
InChIInChI=1S/C16H23FN4O2/c1-19-11-18-14-12(19)2-5-21(15(22)16(17)3-4-16)13(14)10-20-6-8-23-9-7-20/h11,13H,2-10H2,1H3
InChIKeyMLOKMIODMSNKEO-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.68
Rot. Bonds3

About (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131696155) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID131696155
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cnc2c1CCN(C(=O)C1(F)CC1)C2CN1CCOCC1
InChIInChI=1S/C16H23FN4O2/c1-19-11-18-14-12(19)2-5-21(15(22)16(17)3-4-16)13(14)10-20-6-8-23-9-7-20/h11,13H,2-10H2,1H3
InChIKeyMLOKMIODMSNKEO-UHFFFAOYSA-N
XLogP0.68
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 131696155) is (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is Cn1cnc2c1CCN(C(=O)C1(F)CC1)C2CN1CCOCC1.
What is the InChIKey of (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is MLOKMIODMSNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-19-11-18-14-12(19)2-5-21(15(22)16(17)3-4-16)13(14)10-20-6-8-23-9-7-20/h11,13H,2-10H2,1H3.
What are the key properties of (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 322.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[1-methyl-4-(morpholin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131696155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).