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

C18H20Cl2N4O2 — CID 155871618

IUPAC[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone
SMILESCn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnc(Cl)cc1Cl)C2
InChIInChI=1S/C18H20Cl2N4O2/c1-23-6-12-7-24(18(25)14-5-21-16(20)4-15(14)19)8-13(17(12)22-23)10-26-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeyWMEHTWRMQUONRS-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.29
Rot. Bonds5

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

[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone (PubChem CID 155871618) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone
PubChem CID155871618
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone
SMILESCn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnc(Cl)cc1Cl)C2
InChIInChI=1S/C18H20Cl2N4O2/c1-23-6-12-7-24(18(25)14-5-21-16(20)4-15(14)19)8-13(17(12)22-23)10-26-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeyWMEHTWRMQUONRS-UHFFFAOYSA-N
XLogP3.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 134072131
1-[(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97468159
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
[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
[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131683171
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468146
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682911
2-methoxy-1-[7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 155875901
(2-ethyl-5-methylpyrazol-3-yl)-[(7R)-7-(methoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 97368174
(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]pyridine-5-carbonyl]cyclopentane-1-carbonitrile
CID 131683389
(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468137

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone (CID 155871618) is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone is Cn1cc2c(n1)C(COCC1CC1)CN(C(=O)c1cnc(Cl)cc1Cl)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone?
The InChIKey is WMEHTWRMQUONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-23-6-12-7-24(18(25)14-5-21-16(20)4-15(14)19)8-13(17(12)22-23)10-26-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone?
[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4,6-dichloro-3-pyridinyl)methanone has a molecular weight of 395.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(4,6-dichloro-3-pyridinyl)methanone is sourced from PubChem (CID 155871618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).