3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

C20H21ClN6O2 — CID 91817904

IUPAC3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1
InChIInChI=1S/C20H21ClN6O2/c21-15-11-13(12-23-19(15)28)20(29)26-9-7-25(8-10-26)18-17-14-3-1-2-4-16(14)24-27(17)6-5-22-18/h5-6,11-12H,1-4,7-10H2,(H,23,28)
InChIKeyWYOJEVCUPYPQLY-UHFFFAOYSA-N
MW412.88 g/mol
LogP1.91
Rot. Bonds2

About 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91817904) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91817904
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1
InChIInChI=1S/C20H21ClN6O2/c21-15-11-13(12-23-19(15)28)20(29)26-9-7-25(8-10-26)18-17-14-3-1-2-4-16(14)24-27(17)6-5-22-18/h5-6,11-12H,1-4,7-10H2,(H,23,28)
InChIKeyWYOJEVCUPYPQLY-UHFFFAOYSA-N
XLogP1.91
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91631786
(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91890475
(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91890462
1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
CID 91817893
(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91817899
(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890367
[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368
(E)-3-(5-methylfuran-2-yl)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]prop-2-en-1-one
CID 91890483
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
3-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 77078755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 91817904) is 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1.
What is the InChIKey of 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WYOJEVCUPYPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-15-11-13(12-23-19(15)28)20(29)26-9-7-25(8-10-26)18-17-14-3-1-2-4-16(14)24-27(17)6-5-22-18/h5-6,11-12H,1-4,7-10H2,(H,23,28).
What are the key properties of 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 412.88 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91817904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).