4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide

C20H24N6OS — CID 168962397

IUPAC4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESNC1CCN(c2cnc3c(-c4csc(C(=O)NCC5CC5)c4)cnn3c2)CC1
InChIInChI=1S/C20H24N6OS/c21-15-3-5-25(6-4-15)16-9-22-19-17(10-24-26(19)11-16)14-7-18(28-12-14)20(27)23-8-13-1-2-13/h7,9-13,15H,1-6,8,21H2,(H,23,27)
InChIKeyZRDWIYGMQSHFEZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.53
Rot. Bonds5

About 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide

4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide (PubChem CID 168962397) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
PubChem CID168962397
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
SMILESNC1CCN(c2cnc3c(-c4csc(C(=O)NCC5CC5)c4)cnn3c2)CC1
InChIInChI=1S/C20H24N6OS/c21-15-3-5-25(6-4-15)16-9-22-19-17(10-24-26(19)11-16)14-7-18(28-12-14)20(27)23-8-13-1-2-13/h7,9-13,15H,1-6,8,21H2,(H,23,27)
InChIKeyZRDWIYGMQSHFEZ-UHFFFAOYSA-N
XLogP2.53
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide (CID 168962397) is 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide is NC1CCN(c2cnc3c(-c4csc(C(=O)NCC5CC5)c4)cnn3c2)CC1.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The InChIKey is ZRDWIYGMQSHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c21-15-3-5-25(6-4-15)16-9-22-19-17(10-24-26(19)11-16)14-7-18(28-12-14)20(27)23-8-13-1-2-13/h7,9-13,15H,1-6,8,21H2,(H,23,27).
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 168962397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).