4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

C23H27N7O3 — CID 57442006

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccnc(C(N)=O)c3)nc2n1
InChIInChI=1S/C23H27N7O3/c1-14-12-32-9-7-29(14)22-17-3-4-18(16-5-6-25-19(11-16)20(24)31)26-21(17)27-23(28-22)30-8-10-33-13-15(30)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,24,31)/t14-,15-/m0/s1
InChIKeyCZFWRTWSEANOQC-GJZGRUSLSA-N
MW449.52 g/mol
LogP1.64
Rot. Bonds4

About 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (PubChem CID 57442006) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
PubChem CID57442006
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccnc(C(N)=O)c3)nc2n1
InChIInChI=1S/C23H27N7O3/c1-14-12-32-9-7-29(14)22-17-3-4-18(16-5-6-25-19(11-16)20(24)31)26-21(17)27-23(28-22)30-8-10-33-13-15(30)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,24,31)/t14-,15-/m0/s1
InChIKeyCZFWRTWSEANOQC-GJZGRUSLSA-N
XLogP1.64
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (CID 57442006) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccnc(C(N)=O)c3)nc2n1.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The InChIKey is CZFWRTWSEANOQC-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-14-12-32-9-7-29(14)22-17-3-4-18(16-5-6-25-19(11-16)20(24)31)26-21(17)27-23(28-22)30-8-10-33-13-15(30)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,24,31)/t14-,15-/m0/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 57442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).