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

C20H26ClN7O3 — CID 118608416

IUPACN-[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(NC(=O)c3coc(N4CCNCC4)n3)cc21
InChIInChI=1S/C20H25N7O3.ClH/c1-25-17-9-15(18(8-13(17)10-22-25)27-5-2-14(28)11-27)23-19(29)16-12-30-20(24-16)26-6-3-21-4-7-26;/h8-10,12,14,21,28H,2-7,11H2,1H3,(H,23,29);1H
InChIKeyIDIGBCXXZRAZER-UHFFFAOYSA-N
MW447.93 g/mol
LogP1.22
Rot. Bonds4

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

N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 118608416) has the molecular formula C20H26ClN7O3 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID118608416
Molecular FormulaC20H26ClN7O3
Molecular Weight447.93 g/mol
Exact Mass447.18
IUPAC NameN-[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(NC(=O)c3coc(N4CCNCC4)n3)cc21
InChIInChI=1S/C20H25N7O3.ClH/c1-25-17-9-15(18(8-13(17)10-22-25)27-5-2-14(28)11-27)23-19(29)16-12-30-20(24-16)26-6-3-21-4-7-26;/h8-10,12,14,21,28H,2-7,11H2,1H3,(H,23,29);1H
InChIKeyIDIGBCXXZRAZER-UHFFFAOYSA-N
XLogP1.22
TPSA111.69 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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 118608462
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608421
5-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 140788444
2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608527
N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608508
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226580
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
CID 118226623
N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
1-(1-methylindazol-5-yl)pyrrolidin-3-ol
CID 151995234
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226751

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride (CID 118608416) is N-[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 N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[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(NC(=O)c3coc(N4CCNCC4)n3)cc21.
What is the InChIKey of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is IDIGBCXXZRAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3.ClH/c1-25-17-9-15(18(8-13(17)10-22-25)27-5-2-14(28)11-27)23-19(29)16-12-30-20(24-16)26-6-3-21-4-7-26;/h8-10,12,14,21,28H,2-7,11H2,1H3,(H,23,29);1H.
What are the key properties of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride?
N-[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 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 118608416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).