1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine

C26H27N7O2S — CID 24969578

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C26H27N7O2S/c1-32(15-17-4-3-5-18(10-17)34-2)16-19-11-22-24(36-19)26(33-6-8-35-9-7-33)30-25(29-22)21-12-27-14-23-20(21)13-28-31-23/h3-5,10-14H,6-9,15-16H2,1-2H3,(H,28,31)
InChIKeyBJGQPTAFJRDQPM-UHFFFAOYSA-N
MW501.62 g/mol
LogP4.11
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine

1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine (PubChem CID 24969578) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine
PubChem CID24969578
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C26H27N7O2S/c1-32(15-17-4-3-5-18(10-17)34-2)16-19-11-22-24(36-19)26(33-6-8-35-9-7-33)30-25(29-22)21-12-27-14-23-20(21)13-28-31-23/h3-5,10-14H,6-9,15-16H2,1-2H3,(H,28,31)
InChIKeyBJGQPTAFJRDQPM-UHFFFAOYSA-N
XLogP4.11
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 24969577
4-[2-(1H-indazol-4-yl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593066
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-(2-methoxyethyl)amino]methanesulfinic acid
CID 67188694
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
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
ethyl 2-[4-[[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 66977517
4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593033
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine (CID 24969578) is 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine is COc1cccc(CN(C)Cc2cc3nc(-c4cncc5[nH]ncc45)nc(N4CCOCC4)c3s2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine?
The InChIKey is BJGQPTAFJRDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-32(15-17-4-3-5-18(10-17)34-2)16-19-11-22-24(36-19)26(33-6-8-35-9-7-33)30-25(29-22)21-12-27-14-23-20(21)13-28-31-23/h3-5,10-14H,6-9,15-16H2,1-2H3,(H,28,31).
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine?
1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine has a molecular weight of 501.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]methanamine is sourced from PubChem (CID 24969578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).