4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C26H26F2N6O2 — CID 146870185

IUPAC4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C26H26F2N6O2/c1-3-15-12-16(4-5-18(15)26(35)33-17-8-9-29-13-17)32-24-25-31-14-20(34(25)11-10-30-24)19-6-7-21(36-2)23(28)22(19)27/h4-7,10-12,14,17,29H,3,8-9,13H2,1-2H3,(H,30,32)(H,33,35)/t17-/m1/s1
InChIKeySNWISEIHGADIFU-QGZVFWFLSA-N
MW492.53 g/mol
LogP4.08
Rot. Bonds7

About 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide

4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 146870185) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID146870185
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC Name4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C26H26F2N6O2/c1-3-15-12-16(4-5-18(15)26(35)33-17-8-9-29-13-17)32-24-25-31-14-20(34(25)11-10-30-24)19-6-7-21(36-2)23(28)22(19)27/h4-7,10-12,14,17,29H,3,8-9,13H2,1-2H3,(H,30,32)(H,33,35)/t17-/m1/s1
InChIKeySNWISEIHGADIFU-QGZVFWFLSA-N
XLogP4.08
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 146870185) is 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide is CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N[C@@H]1CCNC1.
What is the InChIKey of 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is SNWISEIHGADIFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-3-15-12-16(4-5-18(15)26(35)33-17-8-9-29-13-17)32-24-25-31-14-20(34(25)11-10-30-24)19-6-7-21(36-2)23(28)22(19)27/h4-7,10-12,14,17,29H,3,8-9,13H2,1-2H3,(H,30,32)(H,33,35)/t17-/m1/s1.
What are the key properties of 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 492.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 146870185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).