4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide

C19H23N5OS — CID 168962401

IUPAC4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1cc(-c2cnn3cc(NC4CC4)cnc23)cs1
InChIInChI=1S/C19H23N5OS/c1-3-13(4-2)23-19(25)17-7-12(11-26-17)16-9-21-24-10-15(8-20-18(16)24)22-14-5-6-14/h7-11,13-14,22H,3-6H2,1-2H3,(H,23,25)
InChIKeyHCQQTFIPOYYZSC-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.95
Rot. Bonds7

About 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide

4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide (PubChem CID 168962401) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
PubChem CID168962401
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1cc(-c2cnn3cc(NC4CC4)cnc23)cs1
InChIInChI=1S/C19H23N5OS/c1-3-13(4-2)23-19(25)17-7-12(11-26-17)16-9-21-24-10-15(8-20-18(16)24)22-14-5-6-14/h7-11,13-14,22H,3-6H2,1-2H3,(H,23,25)
InChIKeyHCQQTFIPOYYZSC-UHFFFAOYSA-N
XLogP3.95
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The IUPAC name of 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide (CID 168962401) is 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide is CCC(CC)NC(=O)c1cc(-c2cnn3cc(NC4CC4)cnc23)cs1.
What is the InChIKey of 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
The InChIKey is HCQQTFIPOYYZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-13(4-2)23-19(25)17-7-12(11-26-17)16-9-21-24-10-15(8-20-18(16)24)22-14-5-6-14/h7-11,13-14,22H,3-6H2,1-2H3,(H,23,25).
What are the key properties of 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide?
4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 168962401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).