(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone

C25H25N5O2 — CID 118714784

IUPAC(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(cnn4C)c3)CC1)c1cccn1-2
InChIInChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3
InChIKeyKKTWWKRTTJOZAV-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.93
Rot. Bonds2

About (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone (PubChem CID 118714784) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone.

Molecular Properties

Compound Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone
PubChem CID118714784
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(cnn4C)c3)CC1)c1cccn1-2
InChIInChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3
InChIKeyKKTWWKRTTJOZAV-UHFFFAOYSA-N
XLogP3.93
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 56968001
CID 56968001
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-6-ylmethanone
CID 49869305
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-5-ylmethanone
CID 49869306
4-[(7'-Methoxy-1H,5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxalin]-1-YL)carbonyl]benzonitrile
CID 49869747
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
CID 53025902
7'-methoxy-1-(4-methoxybenzoyl)-5'{H}-spiro[piperidine-4,4'-pyrrolo[1,2-{a}]quinoxaline]
CID 53025906
(3-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058099
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone
CID 67523656
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-2-ylmethanone
CID 117789501
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-one
CID 122600584
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450452

Frequently Asked Questions

What is the IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone?
The IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone (CID 118714784) is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone.
What is the SMILES notation for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone?
The canonical SMILES for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(cnn4C)c3)CC1)c1cccn1-2.
What is the InChIKey of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone?
The InChIKey is KKTWWKRTTJOZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-28-21-7-5-17(14-18(21)16-26-28)24(31)29-12-9-25(10-13-29)23-4-3-11-30(23)22-8-6-19(32-2)15-20(22)27-25/h3-8,11,14-16,27H,9-10,12-13H2,1-2H3.
What are the key properties of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone?
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone has a molecular weight of 427.51 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindazol-5-yl)methanone is sourced from PubChem (CID 118714784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).