(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine

C21H25N7 — CID 156661933

IUPAC(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C21H25N7/c1-23-14-18(13-22)16-3-4-17-15-25-28(20(17)11-16)19-5-6-24-21(12-19)27-9-7-26(2)8-10-27/h3-6,11-15H,7-10,22H2,1-2H3/b18-13+,23-14+
InChIKeyUOLSAMMGWAFWNX-NXUONHHFSA-N
MW375.48 g/mol
LogP2.17
Rot. Bonds4

About (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine

(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine (PubChem CID 156661933) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
PubChem CID156661933
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C21H25N7/c1-23-14-18(13-22)16-3-4-17-15-25-28(20(17)11-16)19-5-6-24-21(12-19)27-9-7-26(2)8-10-27/h3-6,11-15H,7-10,22H2,1-2H3/b18-13+,23-14+
InChIKeyUOLSAMMGWAFWNX-NXUONHHFSA-N
XLogP2.17
TPSA75.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 156661924
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 174108958
1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174046981
formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
CID 142556902
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
CID 163361114
3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 164586856
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine (CID 156661933) is (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine is C/N=C/C(=C\N)c1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1.
What is the InChIKey of (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine?
The InChIKey is UOLSAMMGWAFWNX-NXUONHHFSA-N. The full InChI is InChI=1S/C21H25N7/c1-23-14-18(13-22)16-3-4-17-15-25-28(20(17)11-16)19-5-6-24-21(12-19)27-9-7-26(2)8-10-27/h3-6,11-15H,7-10,22H2,1-2H3/b18-13+,23-14+.
What are the key properties of (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine?
(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine has a molecular weight of 375.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine is sourced from PubChem (CID 156661933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).