[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone

C19H26N4O2 — CID 97368704

IUPAC[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@@H]2COCC1CC1
InChIInChI=1S/C19H26N4O2/c1-3-23-10-16-15(13-25-12-14-6-7-14)9-22(11-17(16)20-23)19(24)18-5-4-8-21(18)2/h4-5,8,10,14-15H,3,6-7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyDOHAAZUTQBIJMN-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds6

About [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone

[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97368704) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97368704
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@@H]2COCC1CC1
InChIInChI=1S/C19H26N4O2/c1-3-23-10-16-15(13-25-12-14-6-7-14)9-22(11-17(16)20-23)19(24)18-5-4-8-21(18)2/h4-5,8,10,14-15H,3,6-7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyDOHAAZUTQBIJMN-OAHLLOKOSA-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 [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Related Compounds

[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744159
[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97368711
1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415436
1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415435
2-[(1S)-cyclopent-2-en-1-yl]-1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 97368716
4-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745407
(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383074
[(7R)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97468515
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131659557
2-ethyl-4-(methoxymethyl)-N,N-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxamide
CID 131660450
(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97368696
2-[[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97383065

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone (CID 97368704) is [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone is CCn1cc2c(n1)CN(C(=O)c1cccn1C)C[C@@H]2COCC1CC1.
What is the InChIKey of [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is DOHAAZUTQBIJMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23-10-16-15(13-25-12-14-6-7-14)9-22(11-17(16)20-23)19(24)18-5-4-8-21(18)2/h4-5,8,10,14-15H,3,6-7,9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone?
[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-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 [(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97368704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).