[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone

C16H22N4O2 — CID 97405833

IUPAC[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOCc1nn(C(C)C)c2c1CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H22N4O2/c1-11(2)20-15-9-19(16(21)13-5-4-7-17-13)8-6-12(15)14(18-20)10-22-3/h4-5,7,11,17H,6,8-10H2,1-3H3
InChIKeyDSAMXPUNFKOBML-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.14
Rot. Bonds4

About [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone

[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97405833) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97405833
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone
SMILESCOCc1nn(C(C)C)c2c1CCN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H22N4O2/c1-11(2)20-15-9-19(16(21)13-5-4-7-17-13)8-6-12(15)14(18-20)10-22-3/h4-5,7,11,17H,6,8-10H2,1-3H3
InChIKeyDSAMXPUNFKOBML-UHFFFAOYSA-N
XLogP2.14
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746180
[3-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155857778
6-(furan-3-ylmethyl)-3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97381634
[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155854787
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
CID 72929182
N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 97389727
1-[3-(hydroxymethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 86771529
[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 97389692
[(3aS,7aS)-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 133136869
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
3,3-dimethyl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110803998
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone (CID 97405833) is [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone is COCc1nn(C(C)C)c2c1CCN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is DSAMXPUNFKOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)20-15-9-19(16(21)13-5-4-7-17-13)8-6-12(15)14(18-20)10-22-3/h4-5,7,11,17H,6,8-10H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone?
[3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97405833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).