5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine

C23H25N7O — CID 67199276

IUPAC5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(Cc3cnc(NCc4ccnc(N5CCOCC5)c4)nc3)c2c1
InChIInChI=1S/C23H25N7O/c1-16-8-20-19(15-26-22(20)25-11-16)9-18-13-28-23(29-14-18)27-12-17-2-3-24-21(10-17)30-4-6-31-7-5-30/h2-3,8,10-11,13-15H,4-7,9,12H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyKYYHWYIJLQGLIN-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.10
Rot. Bonds6

About 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine

5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 67199276) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID67199276
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cnc2[nH]cc(Cc3cnc(NCc4ccnc(N5CCOCC5)c4)nc3)c2c1
InChIInChI=1S/C23H25N7O/c1-16-8-20-19(15-26-22(20)25-11-16)9-18-13-28-23(29-14-18)27-12-17-2-3-24-21(10-17)30-4-6-31-7-5-30/h2-3,8,10-11,13-15H,4-7,9,12H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyKYYHWYIJLQGLIN-UHFFFAOYSA-N
XLogP3.10
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine (CID 67199276) is 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine is Cc1cnc2[nH]cc(Cc3cnc(NCc4ccnc(N5CCOCC5)c4)nc3)c2c1.
What is the InChIKey of 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is KYYHWYIJLQGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-8-20-19(15-26-22(20)25-11-16)9-18-13-28-23(29-14-18)27-12-17-2-3-24-21(10-17)30-4-6-31-7-5-30/h2-3,8,10-11,13-15H,4-7,9,12H2,1H3,(H,25,26)(H,27,28,29).
What are the key properties of 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 67199276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).