7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C20H23F6N5O5 — CID 118746029

IUPAC7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O.2C2HF3O2/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12;2*3-2(4,5)1(6)7/h2,5-6,11-13H,3-4,7-10H2,1H3;2*(H,6,7)
InChIKeyVXPNTYUZFKZEGO-UHFFFAOYSA-N
MW527.42 g/mol
LogP3.01
Rot. Bonds5

About 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746029) has the molecular formula C20H23F6N5O5 and a molecular weight of 527.42 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746029
Molecular FormulaC20H23F6N5O5
Molecular Weight527.42 g/mol
Exact Mass527.16
IUPAC Name7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O.2C2HF3O2/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12;2*3-2(4,5)1(6)7/h2,5-6,11-13H,3-4,7-10H2,1H3;2*(H,6,7)
InChIKeyVXPNTYUZFKZEGO-UHFFFAOYSA-N
XLogP3.01
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746030
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746694
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746693
7-(cyclopropylmethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746828
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746832
7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746835
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 118747200
7-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824029
1-(cyclopropylmethyl)-4-(methoxymethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824303
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824319
ethyl 1-ethyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 155829992
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155842241

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746029) is 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1cnc2c1C(COCC1CC1)CN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VXPNTYUZFKZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2C2HF3O2/c1-20-11-19-14-8-21(16-17-5-2-6-18-16)7-13(15(14)20)10-22-9-12-3-4-12;2*3-2(4,5)1(6)7/h2,5-6,11-13H,3-4,7-10H2,1H3;2*(H,6,7).
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 527.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).