2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21ClN10O2 — CID 118002670

IUPAC2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn(C)n1
InChIInChI=1S/C22H21ClN10O2/c1-12(26-21(34)18-19(24)29-33-9-4-8-25-20(18)33)15-11-13-5-3-6-14(23)17(13)22(35)32(15)10-7-16-27-30-31(2)28-16/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,24,29)(H,26,34)/t12-/m0/s1
InChIKeyHBIZQPYQTPSPGJ-LBPRGKRZSA-N
MW492.93 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118002670) has the molecular formula C22H21ClN10O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118002670
Molecular FormulaC22H21ClN10O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC Name2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn(C)n1
InChIInChI=1S/C22H21ClN10O2/c1-12(26-21(34)18-19(24)29-33-9-4-8-25-20(18)33)15-11-13-5-3-6-14(23)17(13)22(35)32(15)10-7-16-27-30-31(2)28-16/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,24,29)(H,26,34)/t12-/m0/s1
InChIKeyHBIZQPYQTPSPGJ-LBPRGKRZSA-N
XLogP1.54
TPSA150.91 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118002670) is 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn(C)n1.
What is the InChIKey of 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HBIZQPYQTPSPGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H21ClN10O2/c1-12(26-21(34)18-19(24)29-33-9-4-8-25-20(18)33)15-11-13-5-3-6-14(23)17(13)22(35)32(15)10-7-16-27-30-31(2)28-16/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,24,29)(H,26,34)/t12-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-[8-chloro-2-[2-(2-methyltetrazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118002670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).