3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H23ClF2N4O4 — CID 155714446

IUPAC3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC[C@@]1(COc2cnccc2-c2[nH]c3c(c2Nc2cccc(Cl)c2OC(F)F)C(=O)NCC3)CCO1
InChIInChI=1S/C24H23ClF2N4O4/c1-24(7-10-34-24)12-33-17-11-28-8-5-13(17)19-20(18-15(30-19)6-9-29-22(18)32)31-16-4-2-3-14(25)21(16)35-23(26)27/h2-5,8,11,23,30-31H,6-7,9-10,12H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyDBSFBNGNNCTWKI-DEOSSOPVSA-N
MW504.92 g/mol
LogP4.92
Rot. Bonds8

About 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 155714446) has the molecular formula C24H23ClF2N4O4 and a molecular weight of 504.92 g/mol. Its IUPAC name is 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID155714446
Molecular FormulaC24H23ClF2N4O4
Molecular Weight504.92 g/mol
Exact Mass504.14
IUPAC Name3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC[C@@]1(COc2cnccc2-c2[nH]c3c(c2Nc2cccc(Cl)c2OC(F)F)C(=O)NCC3)CCO1
InChIInChI=1S/C24H23ClF2N4O4/c1-24(7-10-34-24)12-33-17-11-28-8-5-13(17)19-20(18-15(30-19)6-9-29-22(18)32)31-16-4-2-3-14(25)21(16)35-23(26)27/h2-5,8,11,23,30-31H,6-7,9-10,12H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyDBSFBNGNNCTWKI-DEOSSOPVSA-N
XLogP4.92
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.92
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

Sevabertinib
CID 155234713
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 155714446) is 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is C[C@@]1(COc2cnccc2-c2[nH]c3c(c2Nc2cccc(Cl)c2OC(F)F)C(=O)NCC3)CCO1.
What is the InChIKey of 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DBSFBNGNNCTWKI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23ClF2N4O4/c1-24(7-10-34-24)12-33-17-11-28-8-5-13(17)19-20(18-15(30-19)6-9-29-22(18)32)31-16-4-2-3-14(25)21(16)35-23(26)27/h2-5,8,11,23,30-31H,6-7,9-10,12H2,1H3,(H,29,32)/t24-/m0/s1.
What are the key properties of 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 504.92 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155714446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).