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

C23H20ClN7 — CID 166039026

IUPAC7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C23H20ClN7/c1-26-20-7-6-16-5-4-14(9-19(16)30-20)2-3-15-8-17(11-27-10-15)31-12-18(24)21-22(25)28-13-29-23(21)31/h4-13H,2-3H2,1H3,(H,26,30)(H2,25,28,29)
InChIKeyJZRNSSBFLDPZKX-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.43
Rot. Bonds5

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

7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine (PubChem CID 166039026) has the molecular formula C23H20ClN7 and a molecular weight of 429.92 g/mol. Its IUPAC name is 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
PubChem CID166039026
Molecular FormulaC23H20ClN7
Molecular Weight429.92 g/mol
Exact Mass429.15
IUPAC Name7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C23H20ClN7/c1-26-20-7-6-16-5-4-14(9-19(16)30-20)2-3-15-8-17(11-27-10-15)31-12-18(24)21-22(25)28-13-29-23(21)31/h4-13H,2-3H2,1H3,(H,26,30)(H2,25,28,29)
InChIKeyJZRNSSBFLDPZKX-UHFFFAOYSA-N
XLogP4.43
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine with MolForge

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Related Compounds

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CID 11640390
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Sch-79797
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SD-208
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Sri-9439
CID 446752
Bms-279700
CID 9844320
B-Raf inhibitor 1
CID 44223999
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897

Frequently Asked Questions

What is the IUPAC name of 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The IUPAC name of 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine (CID 166039026) is 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The canonical SMILES for 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine is CNc1ccc2ccc(CCc3cncc(-n4cc(Cl)c5c(N)ncnc54)c3)cc2n1.
What is the InChIKey of 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
The InChIKey is JZRNSSBFLDPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7/c1-26-20-7-6-16-5-4-14(9-19(16)30-20)2-3-15-8-17(11-27-10-15)31-12-18(24)21-22(25)28-13-29-23(21)31/h4-13H,2-3H2,1H3,(H,26,30)(H2,25,28,29).
What are the key properties of 7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine?
7-[2-[5-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine has a molecular weight of 429.92 g/mol, XLogP of 4.43, 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-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 166039026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).