5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride

C20H26ClN7O3 — CID 140788444

IUPAC5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc2cc(N3CCC(O)C3)c(-c3oc(N4CCNCC4)nc3C(N)=O)cc21
InChIInChI=1S/C20H25N7O3.ClH/c1-25-15-9-14(16(8-12(15)10-23-25)27-5-2-13(28)11-27)18-17(19(21)29)24-20(30-18)26-6-3-22-4-7-26;/h8-10,13,22,28H,2-7,11H2,1H3,(H2,21,29);1H
InChIKeyWVOVOZROAGSHBL-UHFFFAOYSA-N
MW447.93 g/mol
LogP0.73
Rot. Bonds4

About 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride

5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 140788444) has the molecular formula C20H26ClN7O3 and a molecular weight of 447.93 g/mol. Its IUPAC name is 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID140788444
Molecular FormulaC20H26ClN7O3
Molecular Weight447.93 g/mol
Exact Mass447.18
IUPAC Name5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc2cc(N3CCC(O)C3)c(-c3oc(N4CCNCC4)nc3C(N)=O)cc21
InChIInChI=1S/C20H25N7O3.ClH/c1-25-15-9-14(16(8-12(15)10-23-25)27-5-2-13(28)11-27)18-17(19(21)29)24-20(30-18)26-6-3-22-4-7-26;/h8-10,13,22,28H,2-7,11H2,1H3,(H2,21,29);1H
InChIKeyWVOVOZROAGSHBL-UHFFFAOYSA-N
XLogP0.73
TPSA125.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride (CID 140788444) is 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride is Cl.Cn1ncc2cc(N3CCC(O)C3)c(-c3oc(N4CCNCC4)nc3C(N)=O)cc21.
What is the InChIKey of 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is WVOVOZROAGSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3.ClH/c1-25-15-9-14(16(8-12(15)10-23-25)27-5-2-13(28)11-27)18-17(19(21)29)24-20(30-18)26-6-3-22-4-7-26;/h8-10,13,22,28H,2-7,11H2,1H3,(H2,21,29);1H.
What are the key properties of 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 447.93 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 140788444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).