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

C24H21N7O2S — CID 59592942

IUPACN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)c1cccnc1
InChIInChI=1S/C24H21N7O2S/c32-24(15-3-2-6-25-12-15)26-13-16-11-20-21(34-16)23(31-7-9-33-10-8-31)29-22(28-20)17-4-1-5-19-18(17)14-27-30-19/h1-6,11-12,14H,7-10,13H2,(H,26,32)(H,27,30)
InChIKeyNSTMDEWDLPFQQT-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.40
Rot. Bonds5

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

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide (PubChem CID 59592942) has the molecular formula C24H21N7O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide
PubChem CID59592942
Molecular FormulaC24H21N7O2S
Molecular Weight471.55 g/mol
Exact Mass471.15
IUPAC NameN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)c1cccnc1
InChIInChI=1S/C24H21N7O2S/c32-24(15-3-2-6-25-12-15)26-13-16-11-20-21(34-16)23(31-7-9-33-10-8-31)29-22(28-20)17-4-1-5-19-18(17)14-27-30-19/h1-6,11-12,14H,7-10,13H2,(H,26,32)(H,27,30)
InChIKeyNSTMDEWDLPFQQT-UHFFFAOYSA-N
XLogP3.40
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridin-3-amine
CID 59593172
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593033
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-pyridin-3-ylhex-5-ene-1,4-dione
CID 67054504
(E)-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-pyridin-3-ylhex-5-ene-1,4-dione
CID 58441362
ethyl 7-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methylamino]heptanoate
CID 66977493
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-[2-(dimethylamino)ethyl-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 46840701
N'-hydroxy-N-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]hexanediamide
CID 54576037

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide (CID 59592942) is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)c1cccnc1.
What is the InChIKey of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide?
The InChIKey is NSTMDEWDLPFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2S/c32-24(15-3-2-6-25-12-15)26-13-16-11-20-21(34-16)23(31-7-9-33-10-8-31)29-22(28-20)17-4-1-5-19-18(17)14-27-30-19/h1-6,11-12,14H,7-10,13H2,(H,26,32)(H,27,30).
What are the key properties of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide?
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59592942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).