About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one (PubChem CID 165398097) has the molecular formula C32H26ClF2N5O3
and a molecular weight of 602.04 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one.
Molecular Properties
| Compound Name | 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one |
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| PubChem CID | 165398097 |
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| Molecular Formula | C32H26ClF2N5O3 |
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| Molecular Weight | 602.04 g/mol |
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| Exact Mass | 601.17 |
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| IUPAC Name | 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one |
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| SMILES | Cc1cnc(-c2ccnc(C3(OCc4ccccc4)CC3)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |
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| InChI | InChI=1S/C32H26ClF2N5O3/c1-19-15-37-25(24-8-11-36-31(39-24)32(9-10-32)43-17-21-6-4-3-5-7-21)14-27(19)40-20(2)12-28(29(33)30(40)41)42-18-26-23(35)13-22(34)16-38-26/h3-8,11-16H,9-10,17-18H2,1-2H3 |
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| InChIKey | FEAAGBKEHOIVOC-UHFFFAOYSA-N |
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| XLogP | 6.42 |
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| TPSA | 92.02 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 602.04 |
| LogP ≤ 5 | 6.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one (CID 165398097) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2ccnc(C3(OCc4ccccc4)CC3)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
The InChIKey is FEAAGBKEHOIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClF2N5O3/c1-19-15-37-25(24-8-11-36-31(39-24)32(9-10-32)43-17-21-6-4-3-5-7-21)14-27(19)40-20(2)12-28(29(33)30(40)41)42-18-26-23(35)13-22(34)16-38-26/h3-8,11-16H,9-10,17-18H2,1-2H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one has a molecular weight of 602.04 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-[2-(1-phenylmethoxycyclopropyl)pyrimidin-4-yl]-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 165398097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).