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

C26H32N6O3 — CID 57441975

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C26H32N6O3/c1-17-15-34-11-9-31(17)25-22-7-8-23(21-6-4-5-20(13-21)14-27-19(3)33)28-24(22)29-26(30-25)32-10-12-35-16-18(32)2/h4-8,13,17-18H,9-12,14-16H2,1-3H3,(H,27,33)/t17-,18-/m0/s1
InChIKeyZJAXHPYJJBFPGA-ROUUACIJSA-N
MW476.58 g/mol
LogP2.78
Rot. Bonds5

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

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide (PubChem CID 57441975) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 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]acetamide.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide
PubChem CID57441975
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C26H32N6O3/c1-17-15-34-11-9-31(17)25-22-7-8-23(21-6-4-5-20(13-21)14-27-19(3)33)28-24(22)29-26(30-25)32-10-12-35-16-18(32)2/h4-8,13,17-18H,9-12,14-16H2,1-3H3,(H,27,33)/t17-,18-/m0/s1
InChIKeyZJAXHPYJJBFPGA-ROUUACIJSA-N
XLogP2.78
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.78
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]acetamide?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide (CID 57441975) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide.
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]acetamide?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide?
The InChIKey is ZJAXHPYJJBFPGA-ROUUACIJSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17-15-34-11-9-31(17)25-22-7-8-23(21-6-4-5-20(13-21)14-27-19(3)33)28-24(22)29-26(30-25)32-10-12-35-16-18(32)2/h4-8,13,17-18H,9-12,14-16H2,1-3H3,(H,27,33)/t17-,18-/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]acetamide?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]acetamide has a molecular weight of 476.58 g/mol, XLogP of 2.78, 5 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]acetamide is sourced from PubChem (CID 57441975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).