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

C17H16ClN7O2 — CID 129097778

IUPAC2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1c(C(C)NC(=O)c2c(N)nn3cccnc23)cc(Cl)c2cn[nH]c12
InChIInChI=1S/C17H16ClN7O2/c1-8(9-6-11(18)10-7-21-23-13(10)14(9)27-2)22-17(26)12-15(19)24-25-5-3-4-20-16(12)25/h3-8H,1-2H3,(H2,19,24)(H,21,23)(H,22,26)
InChIKeySIUHZTXSXSMKLM-UHFFFAOYSA-N
MW385.82 g/mol
LogP2.34
Rot. Bonds4

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

2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097778) has the molecular formula C17H16ClN7O2 and a molecular weight of 385.82 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097778
Molecular FormulaC17H16ClN7O2
Molecular Weight385.82 g/mol
Exact Mass385.11
IUPAC Name2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1c(C(C)NC(=O)c2c(N)nn3cccnc23)cc(Cl)c2cn[nH]c12
InChIInChI=1S/C17H16ClN7O2/c1-8(9-6-11(18)10-7-21-23-13(10)14(9)27-2)22-17(26)12-15(19)24-25-5-3-4-20-16(12)25/h3-8H,1-2H3,(H2,19,24)(H,21,23)(H,22,26)
InChIKeySIUHZTXSXSMKLM-UHFFFAOYSA-N
XLogP2.34
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097666
[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 129098093
tert-butyl 5-[[4-chloro-6-[1-[[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]-1H-indazol-7-yl]oxy]pentanoate
CID 153053645
2-amino-N-[1-[3,4-dichloro-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097765
2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097895
2-amino-N-[1-(8-chloro-1-ethynyl-3-methyl-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097800
2-amino-N-[1-[3,4-dichloro-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097764
2-amino-N-[1-[8-chloro-5-(4-fluoropiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097891
2-amino-N-[(1S)-1-[5-chloro-3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170649671
2-amino-N-[(1S)-1-[8-chloro-5-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-chloro-5-[(2R)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161220493
2-amino-N-[1-[3,4-dichloro-7-(1,1-dihydroxy-2,2-dimethyl-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129098046
2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097778) is 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1c(C(C)NC(=O)c2c(N)nn3cccnc23)cc(Cl)c2cn[nH]c12.
What is the InChIKey of 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SIUHZTXSXSMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O2/c1-8(9-6-11(18)10-7-21-23-13(10)14(9)27-2)22-17(26)12-15(19)24-25-5-3-4-20-16(12)25/h3-8H,1-2H3,(H2,19,24)(H,21,23)(H,22,26).
What are the key properties of 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).