[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

C19H26N4O2 — CID 97468515

IUPAC[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t16-/m0/s1
InChIKeyZBEMDTRQUSKVIO-INIZCTEOSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds6

About [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97468515) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97468515
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21
InChIInChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t16-/m0/s1
InChIKeyZBEMDTRQUSKVIO-INIZCTEOSA-N
XLogP2.41
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Related Compounds

[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 155900749
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 118745142
1-[(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468528
(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97368217
7-(ethoxymethyl)-N,N-dimethyl-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 134070183
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[(7R)-7-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 97415434
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 97368704
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97382719
cyclopenten-1-yl-[(7R)-1-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97468553
(7S)-1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 98641816

Frequently Asked Questions

What is the IUPAC name of [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (CID 97468515) is [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is CCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2cnn(CC3CC3)c21.
What is the InChIKey of [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZBEMDTRQUSKVIO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-13-16-12-22(19(24)17-5-4-8-21(17)2)11-15-9-20-23(18(15)16)10-14-6-7-14/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).