4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile

C21H25N9O2 — CID 68944120

IUPAC4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(Nc4nc[nH]c4C#N)nc3n2)CC(C)O1
InChIInChI=1S/C21H25N9O2/c1-13-10-30(11-14(2)32-13)21-27-18-15(20(28-21)29-5-7-31-8-6-29)3-4-17(25-18)26-19-16(9-22)23-12-24-19/h3-4,12-14H,5-8,10-11H2,1-2H3,(H,23,24)(H,25,26,27,28)
InChIKeyKAQAKSUAZDUBSS-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.81
Rot. Bonds4

About 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile

4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile (PubChem CID 68944120) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile
PubChem CID68944120
Molecular FormulaC21H25N9O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(Nc4nc[nH]c4C#N)nc3n2)CC(C)O1
InChIInChI=1S/C21H25N9O2/c1-13-10-30(11-14(2)32-13)21-27-18-15(20(28-21)29-5-7-31-8-6-29)3-4-17(25-18)26-19-16(9-22)23-12-24-19/h3-4,12-14H,5-8,10-11H2,1-2H3,(H,23,24)(H,25,26,27,28)
InChIKeyKAQAKSUAZDUBSS-UHFFFAOYSA-N
XLogP1.81
TPSA128.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile?
The IUPAC name of 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile (CID 68944120) is 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile is CC1CN(c2nc(N3CCOCC3)c3ccc(Nc4nc[nH]c4C#N)nc3n2)CC(C)O1.
What is the InChIKey of 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile?
The InChIKey is KAQAKSUAZDUBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2/c1-13-10-30(11-14(2)32-13)21-27-18-15(20(28-21)29-5-7-31-8-6-29)3-4-17(25-18)26-19-16(9-22)23-12-24-19/h3-4,12-14H,5-8,10-11H2,1-2H3,(H,23,24)(H,25,26,27,28).
What are the key properties of 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile?
4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]amino]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 68944120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).