6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

C15H18ClN3O — CID 170351982

IUPAC6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)c(CC1CC1)nn2C1CCCCO1
InChIInChI=1S/C15H18ClN3O/c16-14-8-13-11(9-17-14)12(7-10-4-5-10)18-19(13)15-3-1-2-6-20-15/h8-10,15H,1-7H2
InChIKeyOQQCARXXFVHSOQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.74
Rot. Bonds3

About 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine

6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 170351982) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID170351982
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)c(CC1CC1)nn2C1CCCCO1
InChIInChI=1S/C15H18ClN3O/c16-14-8-13-11(9-17-14)12(7-10-4-5-10)18-19(13)15-3-1-2-6-20-15/h8-10,15H,1-7H2
InChIKeyOQQCARXXFVHSOQ-UHFFFAOYSA-N
XLogP3.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 155482158
tert-butyl 3-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170351522
tert-butyl N-[(3S,4S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-4-methylpyrrolidin-3-yl]carbamate
CID 177282312
tert-butyl 5-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 170352245
5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
CID 172739208
CID 178018564
CID 178018564
5-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 121228950
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
CID 176887222

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine (CID 170351982) is 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is Clc1cc2c(cn1)c(CC1CC1)nn2C1CCCCO1.
What is the InChIKey of 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is OQQCARXXFVHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-14-8-13-11(9-17-14)12(7-10-4-5-10)18-19(13)15-3-1-2-6-20-15/h8-10,15H,1-7H2.
What are the key properties of 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine?
6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 291.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170351982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).