4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C23H16FN7O2S — CID 141400546

IUPAC4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=Cc1cnc(NC(=O)c2cncnc2Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)s1
InChIInChI=1S/C23H16FN7O2S/c24-16-3-1-2-14(6-16)11-31-20-5-4-17(7-15(20)8-28-31)29-21-19(10-25-13-27-21)22(33)30-23-26-9-18(12-32)34-23/h1-10,12-13H,11H2,(H,25,27,29)(H,26,30,33)
InChIKeyIEFJUDYEUSGBGQ-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.28
Rot. Bonds7

About 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide

4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 141400546) has the molecular formula C23H16FN7O2S and a molecular weight of 473.49 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID141400546
Molecular FormulaC23H16FN7O2S
Molecular Weight473.49 g/mol
Exact Mass473.11
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=Cc1cnc(NC(=O)c2cncnc2Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)s1
InChIInChI=1S/C23H16FN7O2S/c24-16-3-1-2-14(6-16)11-31-20-5-4-17(7-15(20)8-28-31)29-21-19(10-25-13-27-21)22(33)30-23-26-9-18(12-32)34-23/h1-10,12-13H,11H2,(H,25,27,29)(H,26,30,33)
InChIKeyIEFJUDYEUSGBGQ-UHFFFAOYSA-N
XLogP4.28
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]prop-2-enoic acid
CID 141400499
ethyl 3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]prop-2-enoate
CID 141400601
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxypyrimidine-5-carbaldehyde
CID 141400530
(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoic acid
CID 141400540
(NZ)-N-[[4-amino-6-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 59011847
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-[7-(hydroxyamino)-7-oxoheptyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 141400553
ethyl (E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoate
CID 141400528
(E)-N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]pent-2-enamide
CID 118296539
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine
CID 102082848
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
[(2S)-2-aminopropyl] N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 11755233
2-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]quinazolin-5-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 68619614

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 141400546) is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is O=Cc1cnc(NC(=O)c2cncnc2Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)s1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is IEFJUDYEUSGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O2S/c24-16-3-1-2-14(6-16)11-31-20-5-4-17(7-15(20)8-28-31)29-21-19(10-25-13-27-21)22(33)30-23-26-9-18(12-32)34-23/h1-10,12-13H,11H2,(H,25,27,29)(H,26,30,33).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 141400546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).