tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

C24H31N5O3 — CID 134434726

IUPACtert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc2)c2ccnn2c1
InChIInChI=1S/C24H31N5O3/c1-23(2,3)32-22(30)27-24(4)9-12-28(13-10-24)21-7-6-17(15-25-21)19-14-18(31-5)16-29-20(19)8-11-26-29/h6-8,11,14-16H,9-10,12-13H2,1-5H3,(H,27,30)
InChIKeyWKSBRISBRXJGCA-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.29
Rot. Bonds4

About tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (PubChem CID 134434726) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
PubChem CID134434726
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Nametert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc2)c2ccnn2c1
InChIInChI=1S/C24H31N5O3/c1-23(2,3)32-22(30)27-24(4)9-12-28(13-10-24)21-7-6-17(15-25-21)19-14-18(31-5)16-29-20(19)8-11-26-29/h6-8,11,14-16H,9-10,12-13H2,1-5H3,(H,27,30)
InChIKeyWKSBRISBRXJGCA-UHFFFAOYSA-N
XLogP4.29
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate (CID 134434726) is tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is COc1cc(-c2ccc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)nc2)c2ccnn2c1.
What is the InChIKey of tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
The InChIKey is WKSBRISBRXJGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-23(2,3)32-22(30)27-24(4)9-12-28(13-10-24)21-7-6-17(15-25-21)19-14-18(31-5)16-29-20(19)8-11-26-29/h6-8,11,14-16H,9-10,12-13H2,1-5H3,(H,27,30).
What are the key properties of tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate has a molecular weight of 437.54 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134434726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).