5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine

C17H17N5S — CID 67490004

IUPAC5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine
SMILESC=C(Nc1n[nH]c2ccc(-c3ncccc3N)cc12)S/C=C\C
InChIInChI=1S/C17H17N5S/c1-3-9-23-11(2)20-17-13-10-12(6-7-15(13)21-22-17)16-14(18)5-4-8-19-16/h3-10H,2,18H2,1H3,(H2,20,21,22)/b9-3-
InChIKeySHIMDPKZEMYBQT-OQFOIZHKSA-N
MW323.43 g/mol
LogP4.36
Rot. Bonds5

About 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine

5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine (PubChem CID 67490004) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine
PubChem CID67490004
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine
SMILESC=C(Nc1n[nH]c2ccc(-c3ncccc3N)cc12)S/C=C\C
InChIInChI=1S/C17H17N5S/c1-3-9-23-11(2)20-17-13-10-12(6-7-15(13)21-22-17)16-14(18)5-4-8-19-16/h3-10H,2,18H2,1H3,(H2,20,21,22)/b9-3-
InChIKeySHIMDPKZEMYBQT-OQFOIZHKSA-N
XLogP4.36
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
CID 86660015
[5-(4-chloro-3-pyridinyl)-1H-indazol-3-yl]thiourea
CID 87418767
5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 86660043
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
N-(1H-indazol-3-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 60729732
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
5-(2-fluoro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501595
N-[3-(4-phosphanylphenyl)-1H-indazol-5-yl]acetamide
CID 143488725
2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87420077

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine?
The IUPAC name of 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine (CID 67490004) is 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine?
The canonical SMILES for 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine is C=C(Nc1n[nH]c2ccc(-c3ncccc3N)cc12)S/C=C\C.
What is the InChIKey of 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine?
The InChIKey is SHIMDPKZEMYBQT-OQFOIZHKSA-N. The full InChI is InChI=1S/C17H17N5S/c1-3-9-23-11(2)20-17-13-10-12(6-7-15(13)21-22-17)16-14(18)5-4-8-19-16/h3-10H,2,18H2,1H3,(H2,20,21,22)/b9-3-.
What are the key properties of 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine?
5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine has a molecular weight of 323.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine is sourced from PubChem (CID 67490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).