formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline

C21H21N5O3S — CID 143765626

IUPACformaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
SMILESC=O.O=S(=O)(c1cnc2ccccc2c1)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C20H19N5O2S.CH2O/c26-28(27,16-12-15-4-1-2-5-17(15)23-13-16)25-14-19(24-10-8-21-9-11-24)20-18(25)6-3-7-22-20;1-2/h1-7,12-14,21H,8-11H2;1H2
InChIKeyBATBCPUWRQBWFQ-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.05
Rot. Bonds3

About formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline

formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline (PubChem CID 143765626) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Nameformaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
PubChem CID143765626
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Nameformaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
SMILESC=O.O=S(=O)(c1cnc2ccccc2c1)n1cc(N2CCNCC2)c2ncccc21
InChIInChI=1S/C20H19N5O2S.CH2O/c26-28(27,16-12-15-4-1-2-5-17(15)23-13-16)25-14-19(24-10-8-21-9-11-24)20-18(25)6-3-7-22-20;1-2/h1-7,12-14,21H,8-11H2;1H2
InChIKeyBATBCPUWRQBWFQ-UHFFFAOYSA-N
XLogP2.05
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

formic acid;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
CID 161021724
6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
CID 25192612
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline
CID 25192744
7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
CID 25192610
(3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol
CID 25192878
formic acid;2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile
CID 158156251
1-(2-fluoro-5-methylphenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine;formic acid
CID 160950406
3-chloro-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile;formic acid
CID 157205200
5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 25193015
formic acid;3-(6-piperazin-1-ylindazol-1-yl)sulfonylquinoline
CID 158933529
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline?
The IUPAC name of formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline (CID 143765626) is formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline.
What is the SMILES notation for formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline?
The canonical SMILES for formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline is C=O.O=S(=O)(c1cnc2ccccc2c1)n1cc(N2CCNCC2)c2ncccc21.
What is the InChIKey of formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline?
The InChIKey is BATBCPUWRQBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.CH2O/c26-28(27,16-12-15-4-1-2-5-17(15)23-13-16)25-14-19(24-10-8-21-9-11-24)20-18(25)6-3-7-22-20;1-2/h1-7,12-14,21H,8-11H2;1H2.
What are the key properties of formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline?
formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline has a molecular weight of 423.50 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline is sourced from PubChem (CID 143765626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).