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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Related Compounds

CID 71555247
CID 71555247
CID 71555167
CID 71555167
CID 71555243
CID 71555243
CID 71555244
CID 71555244
CID 71555534
CID 71555534
CID 89536143
CID 89536143
CID 92044553
CID 92044553
CID 92044895
CID 92044895
CID 145925680
CID 145925680
CID 70654418
CID 70654418
CID 71555245
CID 71555245
CID 71555839
CID 71555839

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).