6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

C25H25N7O3 — CID 155110733

IUPAC6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SMILESCNC(=O)c1cc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)c(=O)n2c1CCC2
InChIInChI=1S/C25H25N7O3/c1-25(13-33)12-29-21-15(11-26)8-14(9-17(21)25)18-5-6-28-24(30-18)31-19-10-16(22(34)27-2)20-4-3-7-32(20)23(19)35/h5-6,8-10,29,33H,3-4,7,12-13H2,1-2H3,(H,27,34)(H,28,30,31)
InChIKeySNJKGIPRAINBTI-UHFFFAOYSA-N
MW471.52 g/mol
LogP1.90
Rot. Bonds5

About 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (PubChem CID 155110733) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.

Molecular Properties

Compound Name6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
PubChem CID155110733
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SMILESCNC(=O)c1cc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)c(=O)n2c1CCC2
InChIInChI=1S/C25H25N7O3/c1-25(13-33)12-29-21-15(11-26)8-14(9-17(21)25)18-5-6-28-24(30-18)31-19-10-16(22(34)27-2)20-4-3-7-32(20)23(19)35/h5-6,8-10,29,33H,3-4,7,12-13H2,1-2H3,(H,27,34)(H,28,30,31)
InChIKeySNJKGIPRAINBTI-UHFFFAOYSA-N
XLogP1.90
TPSA144.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?
The IUPAC name of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (CID 155110733) is 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.
What is the SMILES notation for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?
The canonical SMILES for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is CNC(=O)c1cc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)c(=O)n2c1CCC2.
What is the InChIKey of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?
The InChIKey is SNJKGIPRAINBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-25(13-33)12-29-21-15(11-26)8-14(9-17(21)25)18-5-6-28-24(30-18)31-19-10-16(22(34)27-2)20-4-3-7-32(20)23(19)35/h5-6,8-10,29,33H,3-4,7,12-13H2,1-2H3,(H,27,34)(H,28,30,31).
What are the key properties of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?
6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is sourced from PubChem (CID 155110733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).