7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine

C26H25N7O — CID 166039010

IUPAC7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(OCc3cncc(-n4cc(CC5CC5)c5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C26H25N7O/c1-28-23-7-5-18-4-6-21(10-22(18)32-23)34-14-17-9-20(12-29-11-17)33-13-19(8-16-2-3-16)24-25(27)30-15-31-26(24)33/h4-7,9-13,15-16H,2-3,8,14H2,1H3,(H,28,32)(H2,27,30,31)
InChIKeyDAMNTHXBYCILDT-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.52
Rot. Bonds7

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

7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine (PubChem CID 166039010) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
PubChem CID166039010
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(OCc3cncc(-n4cc(CC5CC5)c5c(N)ncnc54)c3)cc2n1
InChIInChI=1S/C26H25N7O/c1-28-23-7-5-18-4-6-21(10-22(18)32-23)34-14-17-9-20(12-29-11-17)33-13-19(8-16-2-3-16)24-25(27)30-15-31-26(24)33/h4-7,9-13,15-16H,2-3,8,14H2,1H3,(H,28,32)(H2,27,30,31)
InChIKeyDAMNTHXBYCILDT-UHFFFAOYSA-N
XLogP4.52
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine?
The IUPAC name of 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine (CID 166039010) is 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine.
What is the SMILES notation for 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine?
The canonical SMILES for 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine is CNc1ccc2ccc(OCc3cncc(-n4cc(CC5CC5)c5c(N)ncnc54)c3)cc2n1.
What is the InChIKey of 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine?
The InChIKey is DAMNTHXBYCILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-28-23-7-5-18-4-6-21(10-22(18)32-23)34-14-17-9-20(12-29-11-17)33-13-19(8-16-2-3-16)24-25(27)30-15-31-26(24)33/h4-7,9-13,15-16H,2-3,8,14H2,1H3,(H,28,32)(H2,27,30,31).
What are the key properties of 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine?
7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine has a molecular weight of 451.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[4-amino-5-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine is sourced from PubChem (CID 166039010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).