(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide

C23H27N7O3 — CID 66958856

IUPAC(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CCN(C(N)=O)C3)c2c1=O
InChIInChI=1S/C23H27N7O3/c1-28-14-25-19-12-18(15-2-4-17(5-3-15)29-8-10-33-11-9-29)27-21(20(19)22(28)31)26-16-6-7-30(13-16)23(24)32/h2-5,12,14,16H,6-11,13H2,1H3,(H2,24,32)(H,26,27)/t16-/m1/s1
InChIKeyVSTDBXATCWEBFB-MRXNPFEDSA-N
MW449.52 g/mol
LogP1.40
Rot. Bonds4

About (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide

(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide (PubChem CID 66958856) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide
PubChem CID66958856
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CCN(C(N)=O)C3)c2c1=O
InChIInChI=1S/C23H27N7O3/c1-28-14-25-19-12-18(15-2-4-17(5-3-15)29-8-10-33-11-9-29)27-21(20(19)22(28)31)26-16-6-7-30(13-16)23(24)32/h2-5,12,14,16H,6-11,13H2,1H3,(H2,24,32)(H,26,27)/t16-/m1/s1
InChIKeyVSTDBXATCWEBFB-MRXNPFEDSA-N
XLogP1.40
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide (CID 66958856) is (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CCN(C(N)=O)C3)c2c1=O.
What is the InChIKey of (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide?
The InChIKey is VSTDBXATCWEBFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-28-14-25-19-12-18(15-2-4-17(5-3-15)29-8-10-33-11-9-29)27-21(20(19)22(28)31)26-16-6-7-30(13-16)23(24)32/h2-5,12,14,16H,6-11,13H2,1H3,(H2,24,32)(H,26,27)/t16-/m1/s1.
What are the key properties of (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide?
(3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 66958856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).