benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate

C20H17N5O2 — CID 155515786

IUPACbenzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ncc23)ccn1
InChIInChI=1S/C20H17N5O2/c1-13-9-15(7-8-21-13)19-16-11-22-18(10-17(16)24-25-19)23-20(26)27-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyZPGZHORODFWDFX-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.08
Rot. Bonds4

About benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate

benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate (PubChem CID 155515786) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate
PubChem CID155515786
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Namebenzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ncc23)ccn1
InChIInChI=1S/C20H17N5O2/c1-13-9-15(7-8-21-13)19-16-11-22-18(10-17(16)24-25-19)23-20(26)27-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyZPGZHORODFWDFX-UHFFFAOYSA-N
XLogP4.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate?
The IUPAC name of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate (CID 155515786) is benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate?
The canonical SMILES for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate is Cc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ncc23)ccn1.
What is the InChIKey of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate?
The InChIKey is ZPGZHORODFWDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-9-15(7-8-21-13)19-16-11-22-18(10-17(16)24-25-19)23-20(26)27-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,25)(H,22,23,26).
What are the key properties of benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate?
benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate has a molecular weight of 359.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamate is sourced from PubChem (CID 155515786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).