formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

C19H21N5O3S — CID 69489262

IUPACformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCc1cnc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C[C@H]4CN5C)c3c2)s1.O=CO
InChIInChI=1S/C18H19N5OS.CH2O2/c1-10-7-19-17(25-10)11-3-4-15-14(5-11)16(21-20-15)18(24)23-9-12-6-13(23)8-22(12)2;2-1-3/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,20,21);1H,(H,2,3)/t12-,13-;/m0./s1
InChIKeyDAOIITQBHXRHPB-QNTKWALQSA-N
MW399.48 g/mol
LogP2.22
Rot. Bonds2

About formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (PubChem CID 69489262) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Nameformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
PubChem CID69489262
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Nameformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCc1cnc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C[C@H]4CN5C)c3c2)s1.O=CO
InChIInChI=1S/C18H19N5OS.CH2O2/c1-10-7-19-17(25-10)11-3-4-15-14(5-11)16(21-20-15)18(24)23-9-12-6-13(23)8-22(12)2;2-1-3/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,20,21);1H,(H,2,3)/t12-,13-;/m0./s1
InChIKeyDAOIITQBHXRHPB-QNTKWALQSA-N
XLogP2.22
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone with MolForge

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Related Compounds

5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431487
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127038828
6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431536
3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
CID 22480137
N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431543
5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139431548
US9796741, cmp No. 52
CID 118323702
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 11351748
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]methanone
CID 11408331
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 11547191
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]methanone
CID 11751302
[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 22259095

Frequently Asked Questions

What is the IUPAC name of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The IUPAC name of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (CID 69489262) is formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.
What is the SMILES notation for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The canonical SMILES for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is Cc1cnc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C[C@H]4CN5C)c3c2)s1.O=CO.
What is the InChIKey of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The InChIKey is DAOIITQBHXRHPB-QNTKWALQSA-N. The full InChI is InChI=1S/C18H19N5OS.CH2O2/c1-10-7-19-17(25-10)11-3-4-15-14(5-11)16(21-20-15)18(24)23-9-12-6-13(23)8-22(12)2;2-1-3/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,20,21);1H,(H,2,3)/t12-,13-;/m0./s1.
What are the key properties of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone has a molecular weight of 399.48 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is sourced from PubChem (CID 69489262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).