2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide

C22H21N7O3S — CID 58491583

IUPAC2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CC(NC(=O)c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1=O
InChIInChI=1S/C22H21N7O3S/c1-28-11-16(22(28)31)25-21(30)17-9-15-18(33-17)20(29-5-7-32-8-6-29)26-19(24-15)12-3-2-4-14-13(12)10-23-27-14/h2-4,9-10,16H,5-8,11H2,1H3,(H,23,27)(H,25,30)
InChIKeyQPFLKVZUMURYAS-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.64
Rot. Bonds4

About 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide

2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 58491583) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID58491583
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN1CC(NC(=O)c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1=O
InChIInChI=1S/C22H21N7O3S/c1-28-11-16(22(28)31)25-21(30)17-9-15-18(33-17)20(29-5-7-32-8-6-29)26-19(24-15)12-3-2-4-14-13(12)10-23-27-14/h2-4,9-10,16H,5-8,11H2,1H3,(H,23,27)(H,25,30)
InChIKeyQPFLKVZUMURYAS-UHFFFAOYSA-N
XLogP1.64
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]ethanone
CID 59593152
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methyl-4-oxooxetan-3-yl)piperazine-1-carboxamide
CID 76802590
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide
CID 59592942
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
CID 59593040
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-phenylthieno[3,2-d]pyrimidin-6-amine
CID 59592927
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]-4-methoxybenzamide
CID 59593151
(3R)-1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-3-carboxylic acid;methanamine
CID 160660217
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide (CID 58491583) is 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide is CN1CC(NC(=O)c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)C1=O.
What is the InChIKey of 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QPFLKVZUMURYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c1-28-11-16(22(28)31)25-21(30)17-9-15-18(33-17)20(29-5-7-32-8-6-29)26-19(24-15)12-3-2-4-14-13(12)10-23-27-14/h2-4,9-10,16H,5-8,11H2,1H3,(H,23,27)(H,25,30).
What are the key properties of 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yl)-N-(1-methyl-2-oxoazetidin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58491583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).