4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C21H22N8O2 — CID 139450047

IUPAC4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOc1ccnc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H22N8O2/c1-30-16-2-4-22-17(13-16)25-21-26-18(14-20(27-21)29-8-10-31-11-9-29)24-15-3-6-28-7-5-23-19(28)12-15/h2-7,12-14H,8-11H2,1H3,(H2,22,24,25,26,27)
InChIKeySHZQWJAXQAQOGI-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.85
Rot. Bonds6

About 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 139450047) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID139450047
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCOc1ccnc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H22N8O2/c1-30-16-2-4-22-17(13-16)25-21-26-18(14-20(27-21)29-8-10-31-11-9-29)24-15-3-6-28-7-5-23-19(28)12-15/h2-7,12-14H,8-11H2,1H3,(H2,22,24,25,26,27)
InChIKeySHZQWJAXQAQOGI-UHFFFAOYSA-N
XLogP2.85
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 139450047) is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine is COc1ccnc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is SHZQWJAXQAQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-30-16-2-4-22-17(13-16)25-21-26-18(14-20(27-21)29-8-10-31-11-9-29)24-15-3-6-28-7-5-23-19(28)12-15/h2-7,12-14H,8-11H2,1H3,(H2,22,24,25,26,27).
What are the key properties of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 418.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).