4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide

C25H29FN6O3 — CID 57441904

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1F
InChIInChI=1S/C25H29FN6O3/c1-15-13-34-10-8-31(15)23-19-6-7-21(17-4-5-18(20(26)12-17)24(33)27-3)28-22(19)29-25(30-23)32-9-11-35-14-16(32)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,27,33)/t15-,16-/m0/s1
InChIKeyWECGPIPWODZMMN-HOTGVXAUSA-N
MW480.54 g/mol
LogP2.64
Rot. Bonds4

About 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide (PubChem CID 57441904) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide
PubChem CID57441904
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1F
InChIInChI=1S/C25H29FN6O3/c1-15-13-34-10-8-31(15)23-19-6-7-21(17-4-5-18(20(26)12-17)24(33)27-3)28-22(19)29-25(30-23)32-9-11-35-14-16(32)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,27,33)/t15-,16-/m0/s1
InChIKeyWECGPIPWODZMMN-HOTGVXAUSA-N
XLogP2.64
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide (CID 57441904) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1F.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is WECGPIPWODZMMN-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-15-13-34-10-8-31(15)23-19-6-7-21(17-4-5-18(20(26)12-17)24(33)27-3)28-22(19)29-25(30-23)32-9-11-35-14-16(32)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,27,33)/t15-,16-/m0/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 480.54 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 57441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).