N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19ClN6O — CID 58056336

IUPACN-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19ClN6O/c19-12-2-3-16(24-8-4-13(20)5-9-24)15(10-12)23-18(26)14-11-22-25-7-1-6-21-17(14)25/h1-3,6-7,10-11,13H,4-5,8-9,20H2,(H,23,26)
InChIKeyWEVVXJFJOURPCJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056336) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056336
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19ClN6O/c19-12-2-3-16(24-8-4-13(20)5-9-24)15(10-12)23-18(26)14-11-22-25-7-1-6-21-17(14)25/h1-3,6-7,10-11,13H,4-5,8-9,20H2,(H,23,26)
InChIKeyWEVVXJFJOURPCJ-UHFFFAOYSA-N
XLogP2.56
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056336) is N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WEVVXJFJOURPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-12-2-3-16(24-8-4-13(20)5-9-24)15(10-12)23-18(26)14-11-22-25-7-1-6-21-17(14)25/h1-3,6-7,10-11,13H,4-5,8-9,20H2,(H,23,26).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).