1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol

C17H15ClFN7O — CID 163220846

IUPAC1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol
SMILESNc1cn2cc(-c3c(Cl)c(F)c(N4CCC(O)C4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C17H15ClFN7O/c18-14-13(10-6-26-7-11(20)23-12(26)4-21-10)9-3-22-24-16(9)17(15(14)19)25-2-1-8(27)5-25/h3-4,6-8,27H,1-2,5,20H2,(H,22,24)
InChIKeyZKTLWGZXFAJIKL-UHFFFAOYSA-N
MW387.81 g/mol
LogP2.22
Rot. Bonds2

About 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol

1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol (PubChem CID 163220846) has the molecular formula C17H15ClFN7O and a molecular weight of 387.81 g/mol. Its IUPAC name is 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol
PubChem CID163220846
Molecular FormulaC17H15ClFN7O
Molecular Weight387.81 g/mol
Exact Mass387.10
IUPAC Name1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol
SMILESNc1cn2cc(-c3c(Cl)c(F)c(N4CCC(O)C4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C17H15ClFN7O/c18-14-13(10-6-26-7-11(20)23-12(26)4-21-10)9-3-22-24-16(9)17(15(14)19)25-2-1-8(27)5-25/h3-4,6-8,27H,1-2,5,20H2,(H,22,24)
InChIKeyZKTLWGZXFAJIKL-UHFFFAOYSA-N
XLogP2.22
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol (CID 163220846) is 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol is Nc1cn2cc(-c3c(Cl)c(F)c(N4CCC(O)C4)c4[nH]ncc34)ncc2n1.
What is the InChIKey of 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol?
The InChIKey is ZKTLWGZXFAJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN7O/c18-14-13(10-6-26-7-11(20)23-12(26)4-21-10)9-3-22-24-16(9)17(15(14)19)25-2-1-8(27)5-25/h3-4,6-8,27H,1-2,5,20H2,(H,22,24).
What are the key properties of 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol?
1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol has a molecular weight of 387.81 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoimidazo[1,2-a]pyrazin-6-yl)-5-chloro-6-fluoro-1H-indazol-7-yl]pyrrolidin-3-ol is sourced from PubChem (CID 163220846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).