N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine

C28H32N8 — CID 134460315

IUPACN-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESC=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCN(C)CC4)c3)cc12
InChIInChI=1S/C28H32N8/c1-20(31-23-6-8-27(30-18-23)36-9-3-4-10-36)28-25-16-21(5-7-26(25)32-33-28)22-15-24(19-29-17-22)35-13-11-34(2)12-14-35/h5-8,15-19,31H,1,3-4,9-14H2,2H3,(H,32,33)
InChIKeyOBBOUCCQRREQKM-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.45
Rot. Bonds6

About N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine

N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 134460315) has the molecular formula C28H32N8 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID134460315
Molecular FormulaC28H32N8
Molecular Weight480.62 g/mol
Exact Mass480.27
IUPAC NameN-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESC=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCN(C)CC4)c3)cc12
InChIInChI=1S/C28H32N8/c1-20(31-23-6-8-27(30-18-23)36-9-3-4-10-36)28-25-16-21(5-7-26(25)32-33-28)22-15-24(19-29-17-22)35-13-11-34(2)12-14-35/h5-8,15-19,31H,1,3-4,9-14H2,2H3,(H,32,33)
InChIKeyOBBOUCCQRREQKM-UHFFFAOYSA-N
XLogP4.45
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 134460315) is N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine is C=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCN(C)CC4)c3)cc12.
What is the InChIKey of N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is OBBOUCCQRREQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8/c1-20(31-23-6-8-27(30-18-23)36-9-3-4-10-36)28-25-16-21(5-7-26(25)32-33-28)22-15-24(19-29-17-22)35-13-11-34(2)12-14-35/h5-8,15-19,31H,1,3-4,9-14H2,2H3,(H,32,33).
What are the key properties of N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 480.62 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 134460315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).