N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide

C28H34N6O3 — CID 57463687

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CNC(=O)C4CC4)c3)nc2n1
InChIInChI=1S/C28H34N6O3/c1-18-16-36-12-10-33(18)26-23-8-9-24(22-5-3-4-20(14-22)15-29-27(35)21-6-7-21)30-25(23)31-28(32-26)34-11-13-37-17-19(34)2/h3-5,8-9,14,18-19,21H,6-7,10-13,15-17H2,1-2H3,(H,29,35)/t18-,19-/m0/s1
InChIKeyMPVFRUOXSFEUIC-OALUTQOASA-N
MW502.62 g/mol
LogP3.17
Rot. Bonds6

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 57463687) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID57463687
Molecular FormulaC28H34N6O3
Molecular Weight502.62 g/mol
Exact Mass502.27
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CNC(=O)C4CC4)c3)nc2n1
InChIInChI=1S/C28H34N6O3/c1-18-16-36-12-10-33(18)26-23-8-9-24(22-5-3-4-20(14-22)15-29-27(35)21-6-7-21)30-25(23)31-28(32-26)34-11-13-37-17-19(34)2/h3-5,8-9,14,18-19,21H,6-7,10-13,15-17H2,1-2H3,(H,29,35)/t18-,19-/m0/s1
InChIKeyMPVFRUOXSFEUIC-OALUTQOASA-N
XLogP3.17
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide (CID 57463687) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CNC(=O)C4CC4)c3)nc2n1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is MPVFRUOXSFEUIC-OALUTQOASA-N. The full InChI is InChI=1S/C28H34N6O3/c1-18-16-36-12-10-33(18)26-23-8-9-24(22-5-3-4-20(14-22)15-29-27(35)21-6-7-21)30-25(23)31-28(32-26)34-11-13-37-17-19(34)2/h3-5,8-9,14,18-19,21H,6-7,10-13,15-17H2,1-2H3,(H,29,35)/t18-,19-/m0/s1.
What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 57463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).