2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate

C21H26N6O3 — CID 71744764

IUPAC2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1
InChIInChI=1S/C21H26N6O3/c1-14(2)13-30-21(29)26(3)11-9-23-18-8-10-27-20(25-18)17(12-24-27)15-4-6-16(7-5-15)19(22)28/h4-8,10,12,14H,9,11,13H2,1-3H3,(H2,22,28)(H,23,25)
InChIKeyJANIARXJNHBUGM-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.63
Rot. Bonds8

About 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate

2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate (PubChem CID 71744764) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate
PubChem CID71744764
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1
InChIInChI=1S/C21H26N6O3/c1-14(2)13-30-21(29)26(3)11-9-23-18-8-10-27-20(25-18)17(12-24-27)15-4-6-16(7-5-15)19(22)28/h4-8,10,12,14H,9,11,13H2,1-3H3,(H2,22,28)(H,23,25)
InChIKeyJANIARXJNHBUGM-UHFFFAOYSA-N
XLogP2.63
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate (CID 71744764) is 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate is CC(C)COC(=O)N(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1.
What is the InChIKey of 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate?
The InChIKey is JANIARXJNHBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14(2)13-30-21(29)26(3)11-9-23-18-8-10-27-20(25-18)17(12-24-27)15-4-6-16(7-5-15)19(22)28/h4-8,10,12,14H,9,11,13H2,1-3H3,(H2,22,28)(H,23,25).
What are the key properties of 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate?
2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate has a molecular weight of 410.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[[3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 71744764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).