[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate

C18H26N4O2 — CID 164637146

IUPAC[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnn2ccccc12
InChIInChI=1S/C18H26N4O2/c1-14(2)20-18(23)24-13-16-7-3-5-9-21(16)12-15-11-19-22-10-6-4-8-17(15)22/h4,6,8,10-11,14,16H,3,5,7,9,12-13H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyMQUFHQQJACKNJE-MRXNPFEDSA-N
MW330.43 g/mol
LogP2.82
Rot. Bonds5

About [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate

[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate (PubChem CID 164637146) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate
PubChem CID164637146
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnn2ccccc12
InChIInChI=1S/C18H26N4O2/c1-14(2)20-18(23)24-13-16-7-3-5-9-21(16)12-15-11-19-22-10-6-4-8-17(15)22/h4,6,8,10-11,14,16H,3,5,7,9,12-13H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyMQUFHQQJACKNJE-MRXNPFEDSA-N
XLogP2.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate (CID 164637146) is [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate is CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnn2ccccc12.
What is the InChIKey of [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is MQUFHQQJACKNJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)20-18(23)24-13-16-7-3-5-9-21(16)12-15-11-19-22-10-6-4-8-17(15)22/h4,6,8,10-11,14,16H,3,5,7,9,12-13H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate?
[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 330.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 164637146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).