N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C23H24N8O2S — CID 70943802

IUPACN-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESC=c1[nH]nc/c1=C/C(=C\N)c1cc(NC(=O)c2csc(CN3CCOCC3)n2)c2cn[nH]c2c1
InChIInChI=1S/C23H24N8O2S/c1-14-17(10-25-29-14)6-16(9-24)15-7-19(18-11-26-30-20(18)8-15)28-23(32)21-13-34-22(27-21)12-31-2-4-33-5-3-31/h6-11,13,29H,1-5,12,24H2,(H,26,30)(H,28,32)/b16-9+,17-6-
InChIKeyFRLIHFDNRXIENY-JUWCGAEJSA-N
MW476.57 g/mol
LogP1.02
Rot. Bonds6

About N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide

N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 70943802) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID70943802
Molecular FormulaC23H24N8O2S
Molecular Weight476.57 g/mol
Exact Mass476.17
IUPAC NameN-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESC=c1[nH]nc/c1=C/C(=C\N)c1cc(NC(=O)c2csc(CN3CCOCC3)n2)c2cn[nH]c2c1
InChIInChI=1S/C23H24N8O2S/c1-14-17(10-25-29-14)6-16(9-24)15-7-19(18-11-26-30-20(18)8-15)28-23(32)21-13-34-22(27-21)12-31-2-4-33-5-3-31/h6-11,13,29H,1-5,12,24H2,(H,26,30)(H,28,32)/b16-9+,17-6-
InChIKeyFRLIHFDNRXIENY-JUWCGAEJSA-N
XLogP1.02
TPSA137.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 158088924
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(4,4,6,6-tetramethyl-1,3,2-dioxaborinan-2-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 163584846
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67155536
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540681
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid
CID 159985886
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255832
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 70943802) is N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide is C=c1[nH]nc/c1=C/C(=C\N)c1cc(NC(=O)c2csc(CN3CCOCC3)n2)c2cn[nH]c2c1.
What is the InChIKey of N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FRLIHFDNRXIENY-JUWCGAEJSA-N. The full InChI is InChI=1S/C23H24N8O2S/c1-14-17(10-25-29-14)6-16(9-24)15-7-19(18-11-26-30-20(18)8-15)28-23(32)21-13-34-22(27-21)12-31-2-4-33-5-3-31/h6-11,13,29H,1-5,12,24H2,(H,26,30)(H,28,32)/b16-9+,17-6-.
What are the key properties of N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E,3E)-1-amino-3-(5-methylidene-1H-pyrazol-4-ylidene)prop-1-en-2-yl]-1H-indazol-4-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70943802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).