cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C21H29N3O2 — CID 97368628

IUPACcyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1=CCCC1)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1
InChIInChI=1S/C21H29N3O2/c25-21(17-3-1-2-4-17)23-10-18(13-26-12-16-7-8-16)20-19(11-23)22-14-24(20)9-15-5-6-15/h3,14-16,18H,1-2,4-13H2/t18-/m0/s1
InChIKeyXFQBJGSKCUBEFE-SFHVURJKSA-N
MW355.48 g/mol
LogP3.26
Rot. Bonds7

About cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97368628) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID97368628
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Namecyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1=CCCC1)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1
InChIInChI=1S/C21H29N3O2/c25-21(17-3-1-2-4-17)23-10-18(13-26-12-16-7-8-16)20-19(11-23)22-14-24(20)9-15-5-6-15/h3,14-16,18H,1-2,4-13H2/t18-/m0/s1
InChIKeyXFQBJGSKCUBEFE-SFHVURJKSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 97368628) is cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(C1=CCCC1)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1.
What is the InChIKey of cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is XFQBJGSKCUBEFE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-21(17-3-1-2-4-17)23-10-18(13-26-12-16-7-8-16)20-19(11-23)22-14-24(20)9-15-5-6-15/h3,14-16,18H,1-2,4-13H2/t18-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(7R)-7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97368628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).