cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

About cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 126494871) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID	126494871
Molecular Formula	C22H22FN7O
Molecular Weight	419.46 g/mol
Exact Mass	419.19
IUPAC Name	cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILES	C=CCN(c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1)c1cnc(C#N)cc1CC
InChI	InChI=1S/C22H22FN7O/c1-4-6-30(18-11-25-14(10-24)7-13(18)5-2)19-9-17-20(26-12-29(17)3)21(27-19)28-22(31)15-8-16(15)23/h4,7,9,11-12,15-16H,1,5-6,8H2,2-3H3,(H,27,28,31)/t15-,16+/m0/s1
InChIKey	URUWETZVYFEQDW-JKSUJKDBSA-N
XLogP	3.42
TPSA	99.73 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (CID 126494871) is cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is C=CCN(c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1)c1cnc(C#N)cc1CC.

What is the InChIKey of cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is URUWETZVYFEQDW-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-4-6-30(18-11-25-14(10-24)7-13(18)5-2)19-9-17-20(26-12-29(17)3)21(27-19)28-22(31)15-8-16(15)23/h4,7,9,11-12,15-16H,1,5-6,8H2,2-3H3,(H,27,28,31)/t15-,16+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 126494871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).