tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate

C20H32N4O2 — CID 97013434

IUPACtert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate
SMILESCC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cnn2ccccc12
InChIInChI=1S/C20H32N4O2/c1-15(2)11-20(6,14-21-18(25)26-19(3,4)5)22-12-16-13-23-24-10-8-7-9-17(16)24/h7-10,13,15,22H,11-12,14H2,1-6H3,(H,21,25)/t20-/m1/s1
InChIKeyXLZCXPWSRGMEFJ-HXUWFJFHSA-N
MW360.50 g/mol
LogP3.75
Rot. Bonds7

About tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate

tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate (PubChem CID 97013434) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate
PubChem CID97013434
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate
SMILESCC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cnn2ccccc12
InChIInChI=1S/C20H32N4O2/c1-15(2)11-20(6,14-21-18(25)26-19(3,4)5)22-12-16-13-23-24-10-8-7-9-17(16)24/h7-10,13,15,22H,11-12,14H2,1-6H3,(H,21,25)/t20-/m1/s1
InChIKeyXLZCXPWSRGMEFJ-HXUWFJFHSA-N
XLogP3.75
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate with MolForge

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Related Compounds

3-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)butan-2-ol
CID 113342065
2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 90538425
tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
CID 129413596
tert-butyl N-[(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]amino]-2,4-dimethylpentyl]carbamate
CID 97013429
tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
CID 107252599
tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]-2,4-dimethylpentyl]carbamate
CID 107252602
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 119597666
N,N-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 63311793
tert-butyl N-[(2R)-2-[[3-(3-cyanopropoxy)-4-methoxyphenyl]methylamino]-2,4-dimethylpentyl]carbamate
CID 97079456
2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine
CID 63315474
(2R)-2-(2-oxopyrrolidin-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 95717558
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate (CID 97013434) is tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate is CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCc1cnn2ccccc12.
What is the InChIKey of tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate?
The InChIKey is XLZCXPWSRGMEFJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)11-20(6,14-21-18(25)26-19(3,4)5)22-12-16-13-23-24-10-8-7-9-17(16)24/h7-10,13,15,22H,11-12,14H2,1-6H3,(H,21,25)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate?
tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate is sourced from PubChem (CID 97013434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).