cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

C19H22N4O2 — CID 97368156

IUPACcyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1ncc2c1CN(C(=O)C1=CCCC1)C[C@H]2COc1cccnc1
InChIInChI=1S/C19H22N4O2/c1-22-18-12-23(19(24)14-5-2-3-6-14)11-15(17(18)10-21-22)13-25-16-7-4-8-20-9-16/h4-5,7-10,15H,2-3,6,11-13H2,1H3/t15-/m0/s1
InChIKeyWKENQFKUIIZKFQ-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.43
Rot. Bonds4

About cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 97368156) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID97368156
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namecyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1ncc2c1CN(C(=O)C1=CCCC1)C[C@H]2COc1cccnc1
InChIInChI=1S/C19H22N4O2/c1-22-18-12-23(19(24)14-5-2-3-6-14)11-15(17(18)10-21-22)13-25-16-7-4-8-20-9-16/h4-5,7-10,15H,2-3,6,11-13H2,1H3/t15-/m0/s1
InChIKeyWKENQFKUIIZKFQ-HNNXBMFYSA-N
XLogP2.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 97368156) is cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is Cn1ncc2c1CN(C(=O)C1=CCCC1)C[C@H]2COc1cccnc1.
What is the InChIKey of cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is WKENQFKUIIZKFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-18-12-23(19(24)14-5-2-3-6-14)11-15(17(18)10-21-22)13-25-16-7-4-8-20-9-16/h4-5,7-10,15H,2-3,6,11-13H2,1H3/t15-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(4S)-1-methyl-4-(pyridin-3-yloxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 97368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).