tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate

C23H30N6O3 — CID 167968604

IUPACtert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCn2ncc(C(=O)NCCn3ncc4ccccc43)c2C1
InChIInChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)25-13-16-8-10-28-20(12-16)18(15-27-28)21(30)24-9-11-29-19-7-5-4-6-17(19)14-26-29/h4-7,14-16H,8-13H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyMQSMFTUHNGPBGA-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.75
Rot. Bonds6

About tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate

tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate (PubChem CID 167968604) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
PubChem CID167968604
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Nametert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCn2ncc(C(=O)NCCn3ncc4ccccc43)c2C1
InChIInChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)25-13-16-8-10-28-20(12-16)18(15-27-28)21(30)24-9-11-29-19-7-5-4-6-17(19)14-26-29/h4-7,14-16H,8-13H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyMQSMFTUHNGPBGA-UHFFFAOYSA-N
XLogP2.75
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate (CID 167968604) is tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCn2ncc(C(=O)NCCn3ncc4ccccc43)c2C1.
What is the InChIKey of tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate?
The InChIKey is MQSMFTUHNGPBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)25-13-16-8-10-28-20(12-16)18(15-27-28)21(30)24-9-11-29-19-7-5-4-6-17(19)14-26-29/h4-7,14-16H,8-13H2,1-3H3,(H,24,30)(H,25,31).
What are the key properties of tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate?
tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate has a molecular weight of 438.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate is sourced from PubChem (CID 167968604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).