1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

C25H30N10O3 — CID 143573322

IUPAC1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cc(C)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(NN)N(N)c4ccccc4)CC3)c12
InChIInChI=1S/C25H30N10O3/c1-15-12-18(32-31-15)21-22-20(19(38-2)14-29-21)17(13-28-22)23(36)24(37)33-8-10-34(11-9-33)25(30-26)35(27)16-6-4-3-5-7-16/h3-7,12-14,25,28,30H,8-11,26-27H2,1-2H3,(H,31,32)
InChIKeySPEWQTMNFNPOFD-UHFFFAOYSA-N
MW518.58 g/mol
LogP0.72
Rot. Bonds8

About 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (PubChem CID 143573322) has the molecular formula C25H30N10O3 and a molecular weight of 518.58 g/mol. Its IUPAC name is 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
PubChem CID143573322
Molecular FormulaC25H30N10O3
Molecular Weight518.58 g/mol
Exact Mass518.25
IUPAC Name1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cc(C)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(NN)N(N)c4ccccc4)CC3)c12
InChIInChI=1S/C25H30N10O3/c1-15-12-18(32-31-15)21-22-20(19(38-2)14-29-21)17(13-28-22)23(36)24(37)33-8-10-34(11-9-33)25(30-26)35(27)16-6-4-3-5-7-16/h3-7,12-14,25,28,30H,8-11,26-27H2,1-2H3,(H,31,32)
InChIKeySPEWQTMNFNPOFD-UHFFFAOYSA-N
XLogP0.72
TPSA174.52 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carbaldehyde;methanol
CID 143573468
1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 143573605
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 68901084
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958756
1-[7-[5-[[2-(dimethylamino)ethyl-methylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione;2,2,2-trifluoroacetic acid
CID 157105613
N-[3-(dimethylamino)propyl]-3-[4-methoxy-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 24874712
4-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1,3-thiazole-2-carboxamide
CID 164540699
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-methyl-5-oxopyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958728
2-hydroxyethyl 3-[4-methoxy-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 59511484
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 6321193
4-[2-[7-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]-N-hydrazinyl-N-phenylpiperazine-1-carboximidamide
CID 143573527
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-methoxy-4-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 58270141

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (CID 143573322) is 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is COc1cnc(-c2cc(C)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(NN)N(N)c4ccccc4)CC3)c12.
What is the InChIKey of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The InChIKey is SPEWQTMNFNPOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N10O3/c1-15-12-18(32-31-15)21-22-20(19(38-2)14-29-21)17(13-28-22)23(36)24(37)33-8-10-34(11-9-33)25(30-26)35(27)16-6-4-3-5-7-16/h3-7,12-14,25,28,30H,8-11,26-27H2,1-2H3,(H,31,32).
What are the key properties of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione has a molecular weight of 518.58 g/mol, XLogP of 0.72, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is sourced from PubChem (CID 143573322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).