2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21ClN8O2 — CID 129097666

IUPAC2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCCCN
InChIInChI=1S/C19H21ClN8O2/c1-10(25-19(29)14-17(22)27-28-6-3-5-23-18(14)28)11-8-13(20)12-9-24-26-15(12)16(11)30-7-2-4-21/h3,5-6,8-10H,2,4,7,21H2,1H3,(H2,22,27)(H,24,26)(H,25,29)
InChIKeyOEZRPJULKZJXOM-UHFFFAOYSA-N
MW428.88 g/mol
LogP2.06
Rot. Bonds7

About 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097666) has the molecular formula C19H21ClN8O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097666
Molecular FormulaC19H21ClN8O2
Molecular Weight428.88 g/mol
Exact Mass428.15
IUPAC Name2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCCCN
InChIInChI=1S/C19H21ClN8O2/c1-10(25-19(29)14-17(22)27-28-6-3-5-23-18(14)28)11-8-13(20)12-9-24-26-15(12)16(11)30-7-2-4-21/h3,5-6,8-10H,2,4,7,21H2,1H3,(H2,22,27)(H,24,26)(H,25,29)
InChIKeyOEZRPJULKZJXOM-UHFFFAOYSA-N
XLogP2.06
TPSA149.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097666) is 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCCCN.
What is the InChIKey of 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OEZRPJULKZJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN8O2/c1-10(25-19(29)14-17(22)27-28-6-3-5-23-18(14)28)11-8-13(20)12-9-24-26-15(12)16(11)30-7-2-4-21/h3,5-6,8-10H,2,4,7,21H2,1H3,(H2,22,27)(H,24,26)(H,25,29).
What are the key properties of 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).