5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C24H26N6O — CID 155017777

IUPAC5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)CN1CCCC1
InChIInChI=1S/C24H26N6O/c1-17(12-18(14-25-2)16-30-10-3-4-11-30)19-7-8-22-21(13-19)23(29-28-22)24(31)27-20-6-5-9-26-15-20/h5-9,12-15H,2-4,10-11,16H2,1H3,(H,27,31)(H,28,29)/b17-12+,18-14+
InChIKeyICKKORLWXXSMGN-NXGXIAAHSA-N
MW414.51 g/mol
LogP4.29
Rot. Bonds7

About 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 155017777) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID155017777
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)CN1CCCC1
InChIInChI=1S/C24H26N6O/c1-17(12-18(14-25-2)16-30-10-3-4-11-30)19-7-8-22-21(13-19)23(29-28-22)24(31)27-20-6-5-9-26-15-20/h5-9,12-15H,2-4,10-11,16H2,1H3,(H,27,31)(H,28,29)/b17-12+,18-14+
InChIKeyICKKORLWXXSMGN-NXGXIAAHSA-N
XLogP4.29
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethoxy-3-pyridinyl)-5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 155017781
N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[(2E,4E)-5-(methylideneamino)-4-(piperidin-1-ylmethyl)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 146233127
5-[(2E,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 135200499
N-(5-fluoro-3-pyridinyl)-5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 135200303
5-[(2E,4E)-4-[(4-hydroxypiperidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 135200447
5-[(2E,4E)-5-(methylideneamino)-4-(morpholin-4-ylmethyl)penta-2,4-dien-2-yl]-N-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 135200457
5-[(2E,4E)-4-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 155017786
5-[(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 130368490
5-[(3E,5E)-7-(1,1-dioxo-1,4-thiazinan-4-yl)-2,6-dimethylhepta-1,3,5-trien-4-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 155007893
5-[(2E,4E)-5-(methylideneamino)-4-phenoxypenta-2,4-dien-2-yl]-N-phenyl-1H-indazole-3-carboxamide
CID 146233119
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2E,4E)-4-[(dimethylamino)methyl]-5-(methylideneamino)penta-2,4-dien-2-yl]-1H-indazole-3-carboxamide
CID 134487952
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 155017777) is 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is C=N/C=C(\C=C(/C)c1ccc2[nH]nc(C(=O)Nc3cccnc3)c2c1)CN1CCCC1.
What is the InChIKey of 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is ICKKORLWXXSMGN-NXGXIAAHSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17(12-18(14-25-2)16-30-10-3-4-11-30)19-7-8-22-21(13-19)23(29-28-22)24(31)27-20-6-5-9-26-15-20/h5-9,12-15H,2-4,10-11,16H2,1H3,(H,27,31)(H,28,29)/b17-12+,18-14+.
What are the key properties of 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-5-(methylideneamino)-4-(pyrrolidin-1-ylmethyl)penta-2,4-dien-2-yl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 155017777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).