2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide

C26H22ClN5O4 — CID 10436150

IUPAC2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C26H22ClN5O4/c1-35-22-12-15(11-18(27)24(22)36-14-23(33)30-16-5-3-2-4-6-16)25-28-9-8-20(32-25)21-13-17-19(31-21)7-10-29-26(17)34/h2-6,8-9,11-13,31H,7,10,14H2,1H3,(H,29,34)(H,30,33)
InChIKeyPRYMRDDRLOZNKW-UHFFFAOYSA-N
MW503.95 g/mol
LogP4.10
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide

2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide (PubChem CID 10436150) has the molecular formula C26H22ClN5O4 and a molecular weight of 503.95 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide
PubChem CID10436150
Molecular FormulaC26H22ClN5O4
Molecular Weight503.95 g/mol
Exact Mass503.14
IUPAC Name2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)cc(Cl)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C26H22ClN5O4/c1-35-22-12-15(11-18(27)24(22)36-14-23(33)30-16-5-3-2-4-6-16)25-28-9-8-20(32-25)21-13-17-19(31-21)7-10-29-26(17)34/h2-6,8-9,11-13,31H,7,10,14H2,1H3,(H,29,34)(H,30,33)
InChIKeyPRYMRDDRLOZNKW-UHFFFAOYSA-N
XLogP4.10
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide (CID 10436150) is 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide is COc1cc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)cc(Cl)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide?
The InChIKey is PRYMRDDRLOZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O4/c1-35-22-12-15(11-18(27)24(22)36-14-23(33)30-16-5-3-2-4-6-16)25-28-9-8-20(32-25)21-13-17-19(31-21)7-10-29-26(17)34/h2-6,8-9,11-13,31H,7,10,14H2,1H3,(H,29,34)(H,30,33).
What are the key properties of 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide?
2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide has a molecular weight of 503.95 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 10436150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).