2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide

C26H23N5O — CID 91286597

IUPAC2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1Nc1ccc2c(C=Cc3cc(CC)ccn3)n[nH]c2c1
InChIInChI=1S/C26H23N5O/c1-3-14-28-26(32)22-7-5-6-8-23(22)29-20-9-11-21-24(30-31-25(21)17-20)12-10-19-16-18(4-2)13-15-27-19/h1,5-13,15-17,29H,4,14H2,2H3,(H,28,32)(H,30,31)
InChIKeyFKGHURXCZGFWKZ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.80
Rot. Bonds7

About 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide

2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide (PubChem CID 91286597) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide
PubChem CID91286597
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1Nc1ccc2c(C=Cc3cc(CC)ccn3)n[nH]c2c1
InChIInChI=1S/C26H23N5O/c1-3-14-28-26(32)22-7-5-6-8-23(22)29-20-9-11-21-24(30-31-25(21)17-20)12-10-19-16-18(4-2)13-15-27-19/h1,5-13,15-17,29H,4,14H2,2H3,(H,28,32)(H,30,31)
InChIKeyFKGHURXCZGFWKZ-UHFFFAOYSA-N
XLogP4.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide?
The IUPAC name of 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide (CID 91286597) is 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1Nc1ccc2c(C=Cc3cc(CC)ccn3)n[nH]c2c1.
What is the InChIKey of 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide?
The InChIKey is FKGHURXCZGFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-3-14-28-26(32)22-7-5-6-8-23(22)29-20-9-11-21-24(30-31-25(21)17-20)12-10-19-16-18(4-2)13-15-27-19/h1,5-13,15-17,29H,4,14H2,2H3,(H,28,32)(H,30,31).
What are the key properties of 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide?
2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide has a molecular weight of 421.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(4-ethyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 91286597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).