tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate

C28H35N7O2 — CID 126759908

IUPACtert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCC(C)(NC(=O)OC(C)(C)C)CC4)nc3)c12
InChIInChI=1S/C28H35N7O2/c1-19-14-31-35-18-21(22-16-30-33(6)17-22)13-23(25(19)35)20-7-8-24(29-15-20)34-11-9-28(5,10-12-34)32-26(36)37-27(2,3)4/h7-8,13-18H,9-12H2,1-6H3,(H,32,36)
InChIKeyREAADGNHXFHOGA-UHFFFAOYSA-N
MW501.64 g/mol
LogP4.99
Rot. Bonds4

About tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate

tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 126759908) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID126759908
Molecular FormulaC28H35N7O2
Molecular Weight501.64 g/mol
Exact Mass501.29
IUPAC Nametert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCC(C)(NC(=O)OC(C)(C)C)CC4)nc3)c12
InChIInChI=1S/C28H35N7O2/c1-19-14-31-35-18-21(22-16-30-33(6)17-22)13-23(25(19)35)20-7-8-24(29-15-20)34-11-9-28(5,10-12-34)32-26(36)37-27(2,3)4/h7-8,13-18H,9-12H2,1-6H3,(H,32,36)
InChIKeyREAADGNHXFHOGA-UHFFFAOYSA-N
XLogP4.99
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 126759908) is tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate is Cc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCC(C)(NC(=O)OC(C)(C)C)CC4)nc3)c12.
What is the InChIKey of tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is REAADGNHXFHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-19-14-31-35-18-21(22-16-30-33(6)17-22)13-23(25(19)35)20-7-8-24(29-15-20)34-11-9-28(5,10-12-34)32-26(36)37-27(2,3)4/h7-8,13-18H,9-12H2,1-6H3,(H,32,36).
What are the key properties of tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 501.64 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 126759908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).