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Sevabertinib

C24H25ClN4O5 — CID 155234713

💊View drug profile → sevabertinib

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3-chloro-2-methoxyanilino)-2-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@@H]2COCCO2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C24H25ClN4O5/c1-31-23-16(25)3-2-4-18(23)29-22-20-17(6-8-27-24(20)30)28-21(22)15-5-7-26-11-19(15)34-13-14-12-32-9-10-33-14/h2-5,7,11,14,28-29H,6,8-10,12-13H2,1H3,(H,27,30)/t14-/m0/s1
InChIKeyVYQVHWNNPKOJEA-AWEZNQCLSA-N
MW484.94 g/mol
LogP3.56
Rot. Bonds7

About Sevabertinib

Sevabertinib (PubChem CID 155234713) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound NameSevabertinib
PubChem CID155234713
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@@H]2COCCO2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C24H25ClN4O5/c1-31-23-16(25)3-2-4-18(23)29-22-20-17(6-8-27-24(20)30)28-21(22)15-5-7-26-11-19(15)34-13-14-12-32-9-10-33-14/h2-5,7,11,14,28-29H,6,8-10,12-13H2,1H3,(H,27,30)/t14-/m0/s1
InChIKeyVYQVHWNNPKOJEA-AWEZNQCLSA-N
XLogP3.56
TPSA106.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-Fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566590
US11339157, Example 29
CID 142566449
US11339157, Example 19
CID 142566479
US11339157, Example 4
CID 142566481
US11339157, Example 22
CID 142566483
US11339157, Example 24
CID 142566490
US11339157, Example 28
CID 142566492
US11339157, Example 10
CID 142566495
US11339157, Example 7
CID 142566502
US11339157, Example 18
CID 142566505
US11339157, Example 3
CID 142566514
US11339157, Example 9
CID 142566519

Frequently Asked Questions

What is the IUPAC name of Sevabertinib?
The IUPAC name of Sevabertinib (CID 155234713) is 3-(3-chloro-2-methoxyanilino)-2-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for Sevabertinib?
The canonical SMILES for Sevabertinib is COc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@@H]2COCCO2)[nH]c2c1C(=O)NCC2.
What is the InChIKey of Sevabertinib?
The InChIKey is VYQVHWNNPKOJEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-31-23-16(25)3-2-4-18(23)29-22-20-17(6-8-27-24(20)30)28-21(22)15-5-7-26-11-19(15)34-13-14-12-32-9-10-33-14/h2-5,7,11,14,28-29H,6,8-10,12-13H2,1H3,(H,27,30)/t14-/m0/s1.
What are the key properties of Sevabertinib?
Sevabertinib has a molecular weight of 484.94 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sevabertinib is sourced from PubChem (CID 155234713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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