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

C24H25N7 — CID 139448794

IUPACN-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESC=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12
InChIInChI=1S/C24H25N7/c1-16(27-19-5-9-23(25-14-19)30-10-2-3-11-30)24-21-12-17(4-8-22(21)28-29-24)18-13-26-31(15-18)20-6-7-20/h4-5,8-9,12-15,20,27H,1-3,6-7,10-11H2,(H,28,29)
InChIKeyWEZALHHSUNBWRJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.84
Rot. Bonds6

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

N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 139448794) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID139448794
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC NameN-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESC=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12
InChIInChI=1S/C24H25N7/c1-16(27-19-5-9-23(25-14-19)30-10-2-3-11-30)24-21-12-17(4-8-22(21)28-29-24)18-13-26-31(15-18)20-6-7-20/h4-5,8-9,12-15,20,27H,1-3,6-7,10-11H2,(H,28,29)
InChIKeyWEZALHHSUNBWRJ-UHFFFAOYSA-N
XLogP4.84
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 139448859
2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine
CID 139448880
6-(3,3-difluoroazetidin-1-yl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 144929264
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450857
5-(3-amino-2,3-dihydropyridin-5-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 123144881
5-(2,3-difluorophenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118382138
6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460432
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450840
6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460572
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450822
N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
CID 142333570

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 139448794) is N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine is C=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cnn(C4CC4)c3)cc12.
What is the InChIKey of N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is WEZALHHSUNBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-16(27-19-5-9-23(25-14-19)30-10-2-3-11-30)24-21-12-17(4-8-22(21)28-29-24)18-13-26-31(15-18)20-6-7-20/h4-5,8-9,12-15,20,27H,1-3,6-7,10-11H2,(H,28,29).
What are the key properties of N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 411.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-cyclopropylpyrazol-4-yl)-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 139448794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).