N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine

C25H34N6 — CID 144928900

IUPACN-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C(NC1CCN(C(C)C)CC1)c1n[nH]c2ccc(-c3cncc(CN(C)C)c3)cc12
InChIInChI=1S/C25H34N6/c1-17(2)31-10-8-22(9-11-31)27-18(3)25-23-13-20(6-7-24(23)28-29-25)21-12-19(14-26-15-21)16-30(4)5/h6-7,12-15,17,22,27H,3,8-11,16H2,1-2,4-5H3,(H,28,29)
InChIKeyWVKOHNUEEHSQIX-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.12
Rot. Bonds7

About N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine

N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 144928900) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID144928900
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC NameN-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C(NC1CCN(C(C)C)CC1)c1n[nH]c2ccc(-c3cncc(CN(C)C)c3)cc12
InChIInChI=1S/C25H34N6/c1-17(2)31-10-8-22(9-11-31)27-18(3)25-23-13-20(6-7-24(23)28-29-25)21-12-19(14-26-15-21)16-30(4)5/h6-7,12-15,17,22,27H,3,8-11,16H2,1-2,4-5H3,(H,28,29)
InChIKeyWVKOHNUEEHSQIX-UHFFFAOYSA-N
XLogP4.12
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
N-(2,3-dihydro-1H-inden-2-yl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381150
N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381625
N-[(2E,4Z)-6-(4,4-difluorocyclohexyl)hepta-2,4,6-trien-3-yl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 134460455
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450914
N-[1-(2-methylpropyl)piperidin-4-yl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381758
5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118381140
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451008
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450996

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine (CID 144928900) is N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine is C=C(NC1CCN(C(C)C)CC1)c1n[nH]c2ccc(-c3cncc(CN(C)C)c3)cc12.
What is the InChIKey of N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is WVKOHNUEEHSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-17(2)31-10-8-22(9-11-31)27-18(3)25-23-13-20(6-7-24(23)28-29-25)21-12-19(14-26-15-21)16-30(4)5/h6-7,12-15,17,22,27H,3,8-11,16H2,1-2,4-5H3,(H,28,29).
What are the key properties of N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 418.59 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 144928900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).