[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone

C17H21N5O2 — CID 134072131

IUPAC[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESCn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnccn1)C2
InChIInChI=1S/C17H21N5O2/c1-21-7-13-8-22(17(23)15-6-18-4-5-19-15)9-14(16(13)20-21)11-24-10-12-2-3-12/h4-7,12,14H,2-3,8-11H2,1H3
InChIKeyZKZOIUQURCVUTF-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.38
Rot. Bonds5

About [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone

[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone (PubChem CID 134072131) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone
PubChem CID134072131
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESCn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnccn1)C2
InChIInChI=1S/C17H21N5O2/c1-21-7-13-8-22(17(23)15-6-18-4-5-19-15)9-14(16(13)20-21)11-24-10-12-2-3-12/h4-7,12,14H,2-3,8-11H2,1H3
InChIKeyZKZOIUQURCVUTF-UHFFFAOYSA-N
XLogP1.38
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone
CID 155871618
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683334
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 118745142
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 97382727
N-(2-methoxyphenyl)-2-methyl-5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110084982
[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-pyrazin-2-ylmethanone
CID 97462351
1-[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 155858194
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382500
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682911

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone (CID 134072131) is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone is Cn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnccn1)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is ZKZOIUQURCVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-13-8-22(17(23)15-6-18-4-5-19-15)9-14(16(13)20-21)11-24-10-12-2-3-12/h4-7,12,14H,2-3,8-11H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 134072131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).