N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine

C28H30N6 — CID 137115225

IUPACN,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N6/c1-33(2)18-19-13-21(17-29-16-19)20-9-10-25-23(14-20)28(32-31-25)26-15-22-24(30-26)7-6-8-27(22)34-11-4-3-5-12-34/h6-10,13-17,30H,3-5,11-12,18H2,1-2H3,(H,31,32)
InChIKeyMZEBCEBMVICPOP-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.83
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 137115225) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
PubChem CID137115225
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC NameN,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N6/c1-33(2)18-19-13-21(17-29-16-19)20-9-10-25-23(14-20)28(32-31-25)26-15-22-24(30-26)7-6-8-27(22)34-11-4-3-5-12-34/h6-10,13-17,30H,3-5,11-12,18H2,1-2H3,(H,31,32)
InChIKeyMZEBCEBMVICPOP-UHFFFAOYSA-N
XLogP5.83
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine (CID 137115225) is N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is MZEBCEBMVICPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c1-33(2)18-19-13-21(17-29-16-19)20-9-10-25-23(14-20)28(32-31-25)26-15-22-24(30-26)7-6-8-27(22)34-11-4-3-5-12-34/h6-10,13-17,30H,3-5,11-12,18H2,1-2H3,(H,31,32).
What are the key properties of N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 450.59 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137115225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).