7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine

C23H21N7 — CID 166039032

IUPAC7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C23H21N7/c1-25-21-7-6-17-5-4-15(11-20(17)29-21)2-3-16-10-18(13-26-12-16)30-9-8-19-22(24)27-14-28-23(19)30/h4-14H,2-3H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyYHZYPKWTCPOYBQ-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.77
Rot. Bonds5

About 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine

7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine (PubChem CID 166039032) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
PubChem CID166039032
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C23H21N7/c1-25-21-7-6-17-5-4-15(11-20(17)29-21)2-3-16-10-18(13-26-12-16)30-9-8-19-22(24)27-14-28-23(19)30/h4-14H,2-3H2,1H3,(H,25,29)(H2,24,27,28)
InChIKeyYHZYPKWTCPOYBQ-UHFFFAOYSA-N
XLogP3.77
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The IUPAC name of 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine (CID 166039032) is 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The canonical SMILES for 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine is CNc1ccc2ccc(CCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1.
What is the InChIKey of 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The InChIKey is YHZYPKWTCPOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-25-21-7-6-17-5-4-15(11-20(17)29-21)2-3-16-10-18(13-26-12-16)30-9-8-19-22(24)27-14-28-23(19)30/h4-14H,2-3H2,1H3,(H,25,29)(H2,24,27,28).
What are the key properties of 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine has a molecular weight of 395.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 166039032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).