N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine

C24H22FN5OS — CID 25161029

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)cn1
InChIInChI=1S/C24H22FN5OS/c1-13-4-6-17(25)22-21(13)16(14(2)30-22)8-9-26-24-23-18(28-12-29-24)10-19(32-23)15-5-7-20(31-3)27-11-15/h4-7,10-12,30H,8-9H2,1-3H3,(H,26,28,29)
InChIKeyOFVQZFZIKOPDSM-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.65
Rot. Bonds6

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25161029) has the molecular formula C24H22FN5OS and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID25161029
Molecular FormulaC24H22FN5OS
Molecular Weight447.54 g/mol
Exact Mass447.15
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)cn1
InChIInChI=1S/C24H22FN5OS/c1-13-4-6-17(25)22-21(13)16(14(2)30-22)8-9-26-24-23-18(28-12-29-24)10-19(32-23)15-5-7-20(31-3)27-11-15/h4-7,10-12,30H,8-9H2,1-3H3,(H,26,28,29)
InChIKeyOFVQZFZIKOPDSM-UHFFFAOYSA-N
XLogP5.65
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 76325260
CID 76325260
CID 16385551
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CID 71460338
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CID 102490715
CID 102490715
CID 118720397
CID 118720397
CID 118720400
CID 118720400
CID 118731166
CID 118731166
CID 118734111
CID 118734111
CID 118734190
CID 118734190
CID 132254541
CID 132254541
CID 70977824
CID 70977824
CID 71656475
CID 71656475

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine (CID 25161029) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine is COc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)cn1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OFVQZFZIKOPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5OS/c1-13-4-6-17(25)22-21(13)16(14(2)30-22)8-9-26-24-23-18(28-12-29-24)10-19(32-23)15-5-7-20(31-3)27-11-15/h4-7,10-12,30H,8-9H2,1-3H3,(H,26,28,29).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 447.54 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25161029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).