1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H27N5O — CID 118741200

IUPAC1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H27N5O/c1-3-24-12-16-10-22(8-15-6-20-21(2)7-15)11-17-18(16)23(13-19-17)9-14-4-5-14/h6-7,13-14,16H,3-5,8-12H2,1-2H3
InChIKeyKRAMHZZTRRHJKY-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.16
Rot. Bonds7

About 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118741200) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118741200
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21
InChIInChI=1S/C18H27N5O/c1-3-24-12-16-10-22(8-15-6-20-21(2)7-15)11-17-18(16)23(13-19-17)9-14-4-5-14/h6-7,13-14,16H,3-5,8-12H2,1-2H3
InChIKeyKRAMHZZTRRHJKY-UHFFFAOYSA-N
XLogP2.16
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-5-[(3S)-oxolan-3-yl]-4-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
CID 91799457
4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799526
7-methyl-4-[1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799530
4-(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799538
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799544
4-[(4S)-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799389
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799392
4-(1-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-7-methyl-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799464
7-methyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799465
7-methyl-5-[(3R)-oxolan-3-yl]-4-(2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
CID 91799466
4-(1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799528
7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799541

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118741200) is 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1CN(Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is KRAMHZZTRRHJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-24-12-16-10-22(8-15-6-20-21(2)7-15)11-17-18(16)23(13-19-17)9-14-4-5-14/h6-7,13-14,16H,3-5,8-12H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 329.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118741200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).